Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6856779 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL31481622 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL3503446 | 0.84 | ALDH1A1 (0.62) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL10630401 | 0.83 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL1349897 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL6568661 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL3503445 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL2397523 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL3766948 | 0.80 | ALDH1A1 (0.53) | ALDH1A1TSHRHPGDCYP1A2CYP2C19 | |
| SCHEMBL124981 | 0.79 | ALDH1A1 (0.67) | ALDH1A1TSHRHPGDCYP2C19POLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663958-B1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY INC (US) | 2015-02-25 | — | — | EP | claimed |
| US-7662849-B2 | Amidino compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2010-02-16 | — | — | US | claimed |
| US-7547701-B2 | Haloalkyl containing compounds as cysteine protease inhibitors | VIROBAY, INC. (US) | 2009-06-16 | — | — | US | claimed |
| US-20070276019-A1 | Haloalkyl Containing Compounds as Cysteine Protease Inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2007-11-29 | — | — | US | claimed |
| JP-2007505920-A | — | — | 2007-03-15 | — | — | JP | claimed |
| EP-1761485-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | Schering AG (DE) | 2007-03-14 | — | — | EP | claimed |
| US-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | US | claimed |
| JP-2006526657-A | — | — | 2006-11-24 | — | — | JP | claimed |
| US-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | QUEST DIAGNOSTICS INVESTMENTS LLC | 2006-11-23 | — | — | US | claimed |
| EP-1663958-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | claimed |
| WO-2005028454-A1 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | claimed |
| WO-2004108661-A1 | AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS (US) | 2004-12-16 | — | — | WO | claimed |
| EP-1452522-A2 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2004-09-01 | — | — | EP | claimed |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2004-07-29 | — | — | US | claimed |
| EP-1178958-B1 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2004-02-18 | — | — | EP | claimed |
| US-20030096796-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-05-22 | — | — | US | claimed |
| JP-2002539191-A | — | — | 2002-11-19 | — | — | JP | claimed |
| US-6455502-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-09-24 | — | — | US | claimed |
| EP-1178958-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-02-13 | — | — | EP | claimed |
| WO-2000055125-A2 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030096796-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | ALDH1A1 4049/4885TSHR 4863/4885HPGD 541/4885 |
| US-20060264464-A1 | Amidino compounds as cysteine protease inhibitors | CTSF, CTSB, CTSS | ALDH1A1 4189/4885TSHR 4193/4885HPGD 1420/4885 |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | ALDH1A1 4049/4885TSHR 4863/4885HPGD 541/4885 |
| US-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | CTRL, SERPINB1, CPN1 | ALDH1A1 4049/4885TSHR 4863/4885HPGD 541/4885 |
| US-20070276019-A1 | Haloalkyl Containing Compounds as Cysteine Protease Inhibitors | CTSF, CTSS, CTSE | ALDH1A1 1944/4885TSHR 4517/4885HPGD 1182/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.