Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9798176 | 0.69 | CYP3A4 (0.42) | CYP3A4CASP3CYP1A2CYP2D6CA12 | |
| SCHEMBL6605535 | 0.65 | CYP3A4 (0.32) | CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL849669 | 0.64 | — | — | |
| SCHEMBL6599824 | 0.64 | — | — | |
| SCHEMBL9656980 | 0.60 | — | — | |
| SCHEMBL6675403 | 0.58 | CYP3A4 (0.52) | CYP3A4CASP3CYP1A2CYP2D6GAA | |
| SCHEMBL9292715 | 0.58 | CYP3A4 (0.35) | CYP3A4CYP1A2CYP2D6GAANPC1 | |
| SCHEMBL6028160 | 0.58 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6GAAKMT2A | |
| SCHEMBL10664405 | 0.58 | CYP3A4 (0.35) | CYP3A4CASP3CA12CA2CA9 | |
| SCHEMBL9292277 | 0.58 | CASP3 (0.38) | CYP3A4CASP3CA12CA2CA9 |
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-4727076-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LTD. (GB) | 1988-02-23 | — | — | US | disclosed |