Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.35 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9979378 | 0.81 | ESR1 (0.52) | TAAR1ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL25039038 | 0.81 | TAAR1 (0.45) | CYP1A2TAAR1HPGDNPC1RAB9A | |
| SCHEMBL21076151 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2A6TAAR1HPGDNPC1 | |
| SCHEMBL12176286 | 0.77 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1HPGDNPC1 | |
| SCHEMBL21126056 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP2A6TAAR1 | |
| SCHEMBL9427612 | 0.76 | CYP1A2 (0.54) | CYP1A2CYP2A6TAAR1NPC1RAB9A | |
| SCHEMBL11471419 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1HPGDNPC1 | |
| SCHEMBL24307776 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1NPC1RAB9A | |
| SCHEMBL12175955 | 0.76 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1HPGDNPC1 | |
| Hydrogen Sulfide SCHEMBL28279959 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP2A6TAAR1HPGDNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5747485-A | RESPIRATORY SYSTEM DISORDERS | MERCK & CO., INC. (US) | 1998-05-05 | — | — | US | disclosed |