Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.74 |
| ▸ | TP53 | P04637 | 4/20 | 0.74 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.74 |
| ▸ | TSHR | P16473 | 2/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL233589 | 0.86 | CYP3A4 (1.00) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| SCHEMBL8129225 | 0.79 | CYP3A4 (0.84) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| SCHEMBL9722752 | 0.75 | CYP3A4 (0.78) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| SCHEMBL5946843 | 0.75 | CYP3A4 (0.78) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| SCHEMBL31257148 | 0.75 | CYP3A4 (0.77) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| SCHEMBL482497 | 0.75 | CYP3A4 (0.77) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL11613963 | 0.74 | CYP3A4 (0.76) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| SCHEMBL8261943 | 0.73 | KMT2A (0.69) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| SCHEMBL1748243 | 0.72 | KMT2A (1.00) | CYP3A4TP53HSD17B10TSHRALDH1A1 | |
| SCHEMBL11344342 | 0.72 | CYP3A4 (0.72) | CYP3A4TP53HSD17B10TSHRALDH1A1 |
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-1339702-A1 | 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEK INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2003-09-03 | — | — | EP | disclosed |
| WO-2001068619-A1 | 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-09-20 | — | — | WO | disclosed |