Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL14456965 | 0.86 | CYP3A4 (0.52) | CYP3A4 | |
| SCHEMBL14456892 | 0.84 | MEN1 (0.63) | ALDH1A1CYP3A4CYP2D6MEN1TSHR | |
| SCHEMBL13003532 | 0.81 | CYP3A4 (0.59) | CYP3A4CYP2D6MEN1TSHRKMT2A | |
| SCHEMBL14456952 | 0.81 | POLB (0.78) | ALDH1A1CYP3A4CYP2D6POLBCYP2C9 | |
| SCHEMBL14456956 | 0.81 | CNR1 (0.69) | ALDH1A1POLBTSHR | |
| SCHEMBL14456802 | 0.80 | L3MBTL1 (0.60) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C9 | |
| SCHEMBL14456748 | 0.80 | KMT2A (0.73) | ALDH1A1CYP3A4CYP2D6KDM4EPOLB | |
| SCHEMBL13588422 | 0.80 | MEN1 (0.72) | ALDH1A1CYP3A4CYP2D6KDM4EMEN1 | |
| SCHEMBL14456720 | 0.79 | CYP3A4 (0.56) | ALDH1A1CYP3A4CYP2D6KDM4EMEN1 | |
| SCHEMBL14456961 | 0.79 | LSS (0.46) | ALDH1A1POLB |
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-7238688-B2 | Piperidine compounds | SCHERING CORPORATION (US) | 2007-07-03 | — | — | US | disclosed |
| US-7238688-B2 | Piperidine compounds | SCHERING CORPORATION (US) | 2007-07-03 | — | — | US | disclosed |