Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.39 |
| ▸ | NPC1 | O15118 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | AR | P10275 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | PKM | P14618 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6490955 | 0.82 | DUSP4 (0.42) | RAB9ANPC1CYP3A4ARCYP1A2 | |
| SCHEMBL5906927 | 0.81 | AR (0.40) | RAB9ANPC1CYP3A4ARCYP1A2 | |
| SCHEMBL7135049 | 0.78 | ILK (0.39) | RAB9ANPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL14829409 | 0.78 | CYP1A2 (0.44) | RAB9ANPC1CYP3A4ARCYP1A2 | |
| SCHEMBL1404101 | 0.77 | ALDH1A1 (0.59) | RAB9ANPC1CYP3A4ARCYP1A2 | |
| SCHEMBL4179029 | 0.77 | KDM4E (0.58) | RAB9ANPC1CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL2418262 | 0.76 | ITK (0.42) | RAB9ANPC1ARALDH1A1KDM4E | |
| SCHEMBL1919380 | 0.73 | RAB9A (0.40) | RAB9ANPC1CYP3A4ARCYP1A2 | |
| SCHEMBL4811458 | 0.72 | RAB9A (0.57) | RAB9ANPC1CYP3A4ARCYP1A2 | |
| SCHEMBL15775443 | 0.68 | RAB9A (0.49) | RAB9ANPC1CYP3A4ARCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1362054-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | Warner-Lambert Company LLC (US) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002064599-A1 | BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2002-08-22 | — | — | WO | disclosed |