Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6608136 | 0.85 | AKR1C3 (0.53) | AKR1C3ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL27315588 | 0.83 | P2RX7 (0.51) | AKR1C3ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL15571010 | 0.75 | AKR1C3 (0.56) | AKR1C3ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL28393741 | 0.75 | MAPT (0.53) | AKR1C3ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL19287050 | 0.74 | AKR1C3 (0.55) | AKR1C3ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL29816440 | 0.73 | ALDH1A1 (0.57) | AKR1C3ALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL226006 | 0.73 | ALDH1A1 (0.57) | AKR1C3ALDH1A1SMN1; SMN2MAPTPOLB | |
| SCHEMBL30185044 | 0.73 | CA12 (0.50) | AKR1C3ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL7757288 | 0.72 | MAPT (0.50) | AKR1C3ALDH1A1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL325422 | 0.72 | NPC1 (0.70) | AKR1C3ALDH1A1SMN1; SMN2RAB9AMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1149877-A | Novel elastase inhibitors | HOECHST MARION ROUSSEL INC (US) | 1997-05-14 | — | — | CN | disclosed |