Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 16/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 15/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7431178 | 0.81 | JAK3 (0.38) | SLC6A4SLC6A2SLC6A3KCNH2USP2 | |
| SCHEMBL7436060 | 0.79 | SLC6A4 (0.41) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL6564990 | 0.76 | EPHX1 (0.36) | SLC6A4SLC6A2SLC6A3USP2ALDH1A1 | |
| SCHEMBL6563732 | 0.73 | ALDH1A1 (0.39) | USP2ALDH1A1HPGDEPHX1MEN1 | |
| SCHEMBL6567334 | 0.70 | SLC6A2 (0.44) | SLC6A4SLC6A2SLC6A3KCNH2CYP2D6 | |
| SCHEMBL3902181 | 0.63 | CA12 (0.41) | USP2ALDH1A1HPGDMEN1NPC1 | |
| SCHEMBL3907701 | 0.63 | CTSS (0.41) | USP2ALDH1A1HPGDEPHX1MEN1 | |
| SCHEMBL3907563 | 0.62 | EPHX1 (0.41) | USP2ALDH1A1HPGDCYP2D6EPHX1 | |
| SCHEMBL3909371 | 0.61 | ALDH1A1 (0.41) | USP2ALDH1A1HPGDCYP2D6EPHX1 | |
| SCHEMBL3894089 | 0.61 | CA12 (0.45) | USP2ALDH1A1HPGDCYP2D6MEN1 |
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 |