Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.34 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.34 |
| ▸ | PDE5A | O76074 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8444952 | 0.89 | LMNA (0.37) | CREBBPNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL8444402 | 0.87 | NPC1 (0.37) | CREBBPNPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL8443427 | 0.86 | PDE4B (0.38) | CREBBPPDE4BNPC1RAB9AALDH1A1 | |
| SCHEMBL8444969 | 0.85 | AR (0.34) | PDE4BALDH1A1SMN1; SMN2KDM4ECYP1A2 | |
| SCHEMBL8442125 | 0.84 | CREBBP (0.38) | CREBBPALDH1A1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL8441557 | 0.81 | ALDH1A1 (0.42) | NPC1ALDH1A1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL8441932 | 0.80 | EDNRA (0.45) | — | |
| SCHEMBL8441928 | 0.80 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10 | |
| SCHEMBL8443163 | 0.77 | EDNRA (0.43) | ALDH1A1SMN1; SMN2HPGDKDM4EHSD17B10 | |
| SCHEMBL8441594 | 0.76 | EDNRA (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5962682-A | Aryl- and hetaryl-sulfonamide derivatives, their preparation and their use as endothelin antagonists | HOFFMANN-LA ROCHE INC. (US) | 1999-10-05 | — | — | US | disclosed |