Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ABL1 | P00519 | 4/20 | 0.43 |
| ▸ | BCR | P11274 | 4/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 4/20 | 0.43 |
| ▸ | TTR | P02766 | 3/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.43 |
| ▸ | NQO2 | P16083 | 3/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28981586 | 0.89 | CYP1A1 (0.64) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL28981584 | 0.89 | CYP1A1 (0.64) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL4679562 | 0.84 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL4679569 | 0.84 | CYP1A1 (0.61) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL28653499 | 0.82 | ALDH1A1 (0.47) | ALOX5PTGS2MAPTPTGS1ESR1 | |
| SCHEMBL29169709 | 0.82 | ALDH1A1 (0.47) | ALOX5PTGS2MAPTPTGS1ESR1 | |
| SCHEMBL16362233 | 0.81 | CYP1A1 (0.77) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL23599456 | 0.80 | PAM (0.46) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL13369584 | 0.77 | CYP1A1 (0.58) | CYP1A1CYP1B1CYP1A2ABL1BCR | |
| SCHEMBL10296710 | 0.77 | AHR (0.48) | CYP1A1CYP1B1CYP1A2ABL1BCR |
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-2016014463-A1 | HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-01-28 | — | — | WO | disclosed |