Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8475364 | 0.86 | ALDH1A1 (0.39) | ALDH1A1HTTCA1CA2CYP2C9 | |
| SCHEMBL8471849 | 0.81 | ALDH1A1 (0.36) | ALDH1A1HTTCA1CA2CYP2C9 | |
| SCHEMBL8476555 | 0.79 | ALDH1A1 (0.41) | ALDH1A1HTTCA1CA2LMNA | |
| SCHEMBL8473440 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HTTCA1CA2CYP2C9 | |
| SCHEMBL8061325 | 0.78 | ALDH1A1 (0.48) | ALDH1A1HTTCA1CA2LMNA | |
| SCHEMBL8473596 | 0.77 | ALDH1A1 (0.38) | ALDH1A1HTTCA1CA2LMNA | |
| SCHEMBL8476880 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HTTCA1CA2CYP2C19 | |
| SCHEMBL8476177 | 0.76 | TP53 (0.45) | ALDH1A1HTTCA1CA2LMNA | |
| SCHEMBL8472236 | 0.75 | ALDH1A1 (0.44) | ALDH1A1HTTCA1CA2CYP2C9 | |
| SCHEMBL8471681 | 0.73 | ALDH1A1 (0.47) | ALDH1A1HTTLMNASMN1; SMN2RAB9A |
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-5994396-A | Furansulfonic acid derivatives and pharmaceutical compositions containing the same | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-11-30 | — | — | US | disclosed |