Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 8/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 7/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CASP3 | P42574 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1440849 | 0.72 | — | — | |
| SCHEMBL1381419 | 0.69 | POLB (0.46) | NPC1KMT2ARAB9AMEN1ALDH1A1 | |
| SCHEMBL6675403 | 0.69 | CYP3A4 (0.52) | CYP3A4NPC1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL7132590 | 0.67 | MEN1 (0.42) | NPC1KMT2ARAB9AMEN1ALDH1A1 | |
| SCHEMBL9292715 | 0.67 | CYP3A4 (0.35) | CYP3A4NPC1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL9749715 | 0.67 | ADORA2B (0.37) | CYP3A4NPC1KMT2ACYP1A2CYP2D6 | |
| SCHEMBL316006 | 0.67 | KDM4E (0.47) | KMT2ACYP2D6RAB9AMEN1ALDH1A1 | |
| SCHEMBL3718463 | 0.65 | ALDH1A1 (0.39) | NPC1KMT2ARAB9AMEN1ALDH1A1 | |
| SCHEMBL9097727 | 0.65 | — | — | |
| SCHEMBL7037632 | 0.65 | EGLN1 (0.51) | NPC1KMT2ARAB9AMEN1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5342941-A | Bronchodilating agents | TANABE SEIYAKU CO., LTD. (JP) | 1994-08-30 | — | — | US | claimed |
| US-4727076-A | ANTIHISTAMINES | SMITH KLINE & FRENCH LABORATORIES LTD. (GB) | 1988-02-23 | — | — | US | disclosed |
| EP-0234707-A1 | Pyridine derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1987-09-02 | — | — | EP | disclosed |