Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5528972 | 0.81 | CTSL (0.60) | SMN1; SMN2ALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL6738512 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL5524114 | 0.81 | CTSL (0.56) | SMN1; SMN2LMNA | |
| SCHEMBL5526533 | 0.81 | CTSS (0.51) | SMN1; SMN2NPC1RAB9AOPRM1TMEM97 | |
| SCHEMBL5528180 | 0.80 | MEN1 (0.53) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL5528176 | 0.80 | MEN1 (0.53) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL6742393 | 0.79 | CTSS (0.49) | — | |
| SCHEMBL5528266 | 0.79 | CTSL (0.50) | — | |
| SCHEMBL5526326 | 0.78 | CTSL (0.46) | — | |
| SCHEMBL5523030 | 0.77 | GAA (0.52) | SMN1; SMN2ALDH1A1HPGDNPC1RAB9A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2007-01-18 | — | — | US | disclosed |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2004-07-29 | — | — | US | disclosed |
| EP-1178958-B1 | N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2004-02-18 | — | — | EP | disclosed |
| US-20030096796-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-05-22 | — | — | US | disclosed |
| US-6455502-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-09-24 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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 | SMN1; SMN2 3462/4885ALDH1A1 4049/4885TP53 365/4885 |
| US-20040147745-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | SMN1; SMN2 3462/4885ALDH1A1 4049/4885TP53 365/4885 |
| US-20070015755-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS | CTRL, SERPINB1, CPN1 | SMN1; SMN2 3462/4885ALDH1A1 4049/4885TP53 365/4885 |
“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.