Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 6/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6564990 | 0.83 | EPHX1 (0.36) | ALDH1A1USP2HPGDMEN1KMT2A | |
| SCHEMBL3902181 | 0.72 | CA12 (0.41) | ALDH1A1USP2HPGDMEN1KMT2A | |
| SCHEMBL3894089 | 0.69 | CA12 (0.45) | ALDH1A1USP2HPGDMEN1KMT2A | |
| SCHEMBL3907701 | 0.68 | CTSS (0.41) | ALDH1A1USP2HPGDMEN1KMT2A | |
| SCHEMBL3892984 | 0.67 | OPRL1 (0.43) | ALDH1A1USP2HPGDMEN1KMT2A | |
| SCHEMBL3909371 | 0.67 | ALDH1A1 (0.41) | ALDH1A1USP2HPGDMEN1KMT2A | |
| SCHEMBL3896899 | 0.66 | CTSS (0.43) | ALDH1A1USP2HPGDKMT2ANPC1 | |
| SCHEMBL3909374 | 0.66 | CTSS (0.42) | ALDH1A1USP2HPGDMAPTCYP1A2 | |
| SCHEMBL6565027 | 0.65 | CTSL (0.37) | ALDH1A1USP2HPGDMEN1KMT2A | |
| SCHEMBL3907563 | 0.65 | EPHX1 (0.41) | ALDH1A1USP2HPGDMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |