Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7059207 | 0.87 | CYP3A4 (0.43) | ALDH1A1MEN1NPC1HTTRAB9A | |
| SCHEMBL7451046 | 0.82 | ALDH1A1 (0.33) | ALDH1A1POLBHSD17B10HPGDTDP1 | |
| SCHEMBL910030 | 0.82 | ALDH1A1 (0.50) | ALDH1A1POLBMEN1KMT2AHSD17B10 | |
| SCHEMBL31200496 | 0.82 | ALDH1A1 (0.50) | ALDH1A1POLBMEN1KMT2AHSD17B10 | |
| SCHEMBL1457077 | 0.78 | TSHR (0.61) | ALDH1A1POLBMEN1KMT2AHSD17B10 | |
| SCHEMBL27958108 | 0.78 | HPGD (0.40) | ALDH1A1POLBNPC1RAB9AKMT2A | |
| SCHEMBL109178 | 0.77 | TSHR (0.50) | ALDH1A1MEN1NPC1HTTRAB9A | |
| SCHEMBL30111657 | 0.77 | TSHR (0.50) | ALDH1A1MEN1NPC1HTTRAB9A | |
| SCHEMBL97165 | 0.77 | ADRA1A (0.39) | ALDH1A1MEN1NPC1HTTRAB9A | |
| SCHEMBL14033994 | 0.76 | ALDH1A1 (0.45) | ALDH1A1POLBMEN1KMT2AHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006133417-A1 | PHENYLAMINO ISOTHIAZOLE CARBOXAMIDINES AS MEK INHIBITORS | VALEANT PHARMACEUTICALS INTERNATIONAL (US) | 2006-12-14 | — | — | WO | disclosed |