Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.63 |
| ▸ | RAB9A | P51151 | 4/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | TNF | P01375 | 1/20 | 0.58 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | GFER | P55789 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 4/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | GRIA2 | P42262 | 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 | |
|---|---|---|---|---|
| SCHEMBL4435163 | 0.96 | ALDH1A1 (0.69) | ALDH1A1RAB9ANPC1TNFNOD1 | |
| Hydrochloric Acid SCHEMBL29512216 | 0.94 | ALDH1A1 (0.67) | ALDH1A1RAB9ANPC1TNFNOD1 | |
| SCHEMBL3133153 | 0.89 | ALDH1A1 (0.54) | ALDH1A1RAB9ANPC1TNFNOD1 | |
| SCHEMBL7430043 | 0.89 | ALDH1A1 (0.57) | ALDH1A1RAB9ANPC1TNFNOD1 | |
| SCHEMBL7163455 | 0.89 | RAB9A (0.63) | ALDH1A1RAB9ANPC1TNFNOD1 | |
| SCHEMBL22042464 | 0.86 | ALDH1A1 (0.51) | ALDH1A1RAB9ANPC1TNFNOD1 | |
| SCHEMBL4132126 | 0.85 | NPC1 (0.54) | ALDH1A1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL25094068 | 0.84 | ALDH1A1 (0.52) | ALDH1A1RAB9ANPC1TNFNOD1 | |
| SCHEMBL3136165 | 0.82 | ALDH1A1 (0.51) | ALDH1A1RAB9ANPC1TNFNOD1 | |
| SCHEMBL312769 | 0.81 | RAB9A (0.56) | ALDH1A1RAB9ANPC1TNFNOD1 |
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-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | disclosed |