Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6251322 | 0.92 | RAB9A (0.51) | RAB9ANPC1KMT2AMEN1TRPV1 | |
| SCHEMBL6684339 | 0.80 | EPHX2 (0.40) | RAB9ANPC1KMT2AMEN1TRPV1 | |
| SCHEMBL6687019 | 0.80 | NPC1 (0.40) | RAB9ANPC1KMT2AMEN1MAPT | |
| SCHEMBL6248284 | 0.77 | RAB9A (0.59) | RAB9ANPC1KMT2AMEN1MAPT | |
| SCHEMBL6684172 | 0.76 | EPHX2 (0.36) | RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL6228887 | 0.76 | MAPT (0.51) | RAB9ANPC1KMT2AMEN1TRPV1 | |
| SCHEMBL6251305 | 0.73 | EPHX2 (0.53) | KMT2AMEN1TRPV1MAPTALDH1A1 | |
| SCHEMBL6253485 | 0.72 | POLB (0.48) | RAB9AKMT2AMEN1TRPV1MAPT | |
| SCHEMBL6681078 | 0.72 | EPHX2 (0.48) | KMT2AMEN1TRPV1ALDH1A1KDM4E | |
| SCHEMBL4347103 | 0.69 | RAB9A (0.74) | RAB9ANPC1KMT2AMEN1MAPT |
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-1539683-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | Jerini AG (DE) | 2005-06-15 | — | — | EP | claimed |
| WO-2004026815-A2 | PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS | JERINI AG (DE) | 2004-04-01 | — | — | WO | claimed |