Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MPL | P40238 | 2/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6183920 | 0.90 | NPC1 (0.45) | PARP1KMT2AMEN1POLBMAPT | |
| SCHEMBL6183464 | 0.89 | NPC1 (0.48) | KMT2AMEN1POLBMAPTALDH1A1 | |
| SCHEMBL6181733 | 0.88 | KMT2A (0.47) | KMT2AMEN1POLBMAPTALDH1A1 | |
| SCHEMBL7452860 | 0.85 | KDM4E (0.60) | KMT2AMEN1POLBMAPTALDH1A1 | |
| SCHEMBL7450325 | 0.85 | ALDH1A1 (0.47) | KMT2AMEN1POLBMAPTALDH1A1 | |
| SCHEMBL6183157 | 0.85 | KDM4E (0.60) | KMT2AMEN1POLBMAPTALDH1A1 | |
| SCHEMBL6182948 | 0.83 | GRM1 (0.42) | KMT2AMEN1POLBMAPTALDH1A1 | |
| SCHEMBL7554411 | 0.83 | EPHX2 (0.50) | KMT2AMEN1MAPTALDH1A1TSHR | |
| SCHEMBL6184482 | 0.81 | RAB9A (0.51) | KMT2AMEN1POLBMAPTALDH1A1 | |
| SCHEMBL7044811 | 0.81 | CTSL (0.45) | KMT2AMEN1POLBMAPTALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | claimed |
| EP-1161415-B1 | N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS | AXYS PHARM INC (US) | 2005-07-13 | — | — | EP | disclosed |
| US-6593327-B2 | N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates | AXYS PHARMACEUTICALS, INC. | 2003-07-15 | — | — | US | disclosed |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-06-26 | — | — | US | disclosed |
| US-6476026-B1 | Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. | 2002-11-05 | — | — | US | disclosed |
| US-20020086996-A1 | Novel compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2002-07-04 | — | — | 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 (2 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-20020086996-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | PARP1 1278/4885KMT2A 2983/4885MEN1 3977/4885 |
| US-20030119788-A1 | Novel compounds and compositions as protease inhibitors | CTRL, SERPINB1, CPN1 | PARP1 1278/4885KMT2A 2983/4885MEN1 3977/4885 |
“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.