Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MME | P08473 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PAM | P19021 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL10972190 | 1.00 | CYP3A4 (0.42) | CYP3A4CYP2C9RECQLALDH1A1TSHR | |
| SCHEMBL1717110 | 0.81 | CYP3A4 (0.59) | CYP3A4CYP2C9RECQLALDH1A1TSHR | |
| SCHEMBL7064025 | 0.81 | CYP3A4 (0.59) | CYP3A4CYP2C9RECQLALDH1A1TSHR | |
| SCHEMBL10972186 | 0.78 | CYP3A4 (0.47) | CYP3A4CYP2C9RECQLALDH1A1TSHR | |
| SCHEMBL11768715 | 0.77 | CYP3A4 (0.46) | CYP3A4CYP2C9RECQLALDH1A1MME | |
| SCHEMBL10923117 | 0.76 | RECQL (0.47) | CYP3A4CYP2C9RECQLALDH1A1TSHR | |
| SCHEMBL433428 | 0.75 | ALDH1A1 (0.44) | CYP3A4CYP2C9RECQLALDH1A1TSHR | |
| SCHEMBL7219057 | 0.75 | ALDH1A1 (0.44) | CYP3A4CYP2C9RECQLALDH1A1TSHR | |
| SCHEMBL1363528 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP2C9RECQLALDH1A1TSHR | |
| SCHEMBL10555381 | 0.73 | CYP3A4 (0.42) | CYP3A4CYP2C9RECQLALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4598083-A | INSECTICIDES, NEMATOCIDES | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-07-01 | — | — | US | disclosed |
| US-4598083-A | INSECTICIDES, NEMATOCIDES | SCHERING AKTIENGESELLSCHAFT (DE) | 1986-07-01 | — | — | US | disclosed |