Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.63 |
| ▸ | CA9 | Q16790 | 4/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.62 |
| ▸ | CA1 | P00915 | 2/20 | 0.62 |
| ▸ | CA2 | P00918 | 2/20 | 0.62 |
| ▸ | TACR3 | P29371 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8809581 | 0.94 | CYP3A4 (0.60) | CYP3A4CA9CA12CA1CA2 | |
| SCHEMBL8807576 | 0.84 | CYP3A4 (0.62) | CYP3A4CA9CA12CA1CA2 | |
| SCHEMBL8809571 | 0.79 | CYP3A4 (0.59) | CYP3A4CA9CA12CA1CA2 | |
| SCHEMBL28844500 | 0.78 | TACR3 (0.76) | CYP3A4CA9CA12CA1CA2 | |
| SCHEMBL8808332 | 0.78 | MEN1 (0.52) | CYP3A4MAPTMEN1KMT2ANPC1 | |
| SCHEMBL28844479 | 0.78 | TACR3 (0.79) | CYP3A4CA9CA12CA1CA2 | |
| SCHEMBL8808579 | 0.76 | CA12 (0.57) | CYP3A4CA9CA12CA1CA2 | |
| SCHEMBL8808583 | 0.76 | CA12 (0.55) | CYP3A4CA9CA12CA1CA2 | |
| SCHEMBL28844487 | 0.76 | TACR3 (0.91) | CYP3A4CA9CA12CA1CA2 | |
| SCHEMBL6451537 | 0.75 | TACR3 (1.00) | CYP3A4CA9CA12CA1CA2 |
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-5663179-A | CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS | LABORATOIRES GLAXO SA (FR) | 1997-09-02 | — | — | US | disclosed |
| EP-0649410-B1 | ANILIDE DERIVATIVES | GLAXO LAB SA (FR) | 1997-05-02 | — | — | EP | disclosed |