Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MMP3 | P08254 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12890266 | 0.92 | SMN1; SMN2 (0.72) | SMN1; SMN2TSHRRECQLKMT2AALDH1A1 | |
| SCHEMBL26616374 | 0.87 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL26616368 | 0.87 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL26708726 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL30674418 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL10765557 | 0.83 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9AKMT2APSMB5 | |
| SCHEMBL2560871 | 0.81 | ALDH1A1 (0.51) | SMN1; SMN2MAPTALDH1A1HPGDGAA | |
| SCHEMBL10588204 | 0.81 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL17621162 | 0.81 | HPGD (0.65) | CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL2560878 | 0.80 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AHPGDTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006101454-A1 | BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS | S*BIO PTE LTD (SG) | 2006-09-28 | — | — | WO | disclosed |