Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | MC4R | P32245 | 1/20 | 0.38 |
| ▸ | MC5R | P33032 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11238764 | 0.84 | HTT (0.46) | TSHRALDH1A1HTTCA1CA2 | |
| SCHEMBL6269123 | 0.81 | MC4R (0.40) | TSHRCYP3A4ALDH1A1ALOX15TDP1 | |
| SCHEMBL11223432 | 0.81 | HTT (0.60) | CYP3A4SMN1; SMN2HTTCHRM2CYP1A2 | |
| Hydrochloric Acid SCHEMBL6856468 | 0.80 | MC4R (0.39) | CYP3A4TDP1CA9CA12CHRM2 | |
| SCHEMBL23254196 | 0.80 | BCHE (0.46) | TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL5108078 | 0.76 | SLC6A4 (0.53) | TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL5108087 | 0.75 | CYP3A4 (0.50) | TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL20582088 | 0.75 | MAPT (0.42) | TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL30933726 | 0.74 | CYP1A2 (0.69) | ALDH1A1SMN1; SMN2CA1CA2CA9 | |
| SCHEMBL775188 | 0.74 | CYP3A4 (0.54) | TSHRCYP3A4ALDH1A1ALOX15SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3077396-B1 | SYNTHESIS OF TRANS-8-CHLORO-5-METHYL-1 -[4-(PYRIDIN-2-YLOXY)-CYCLOHEXYL]-5,6-DIHYDRO-4H-2,3,5,10B-TETRAAZA-BENZO[E]AZULENE AND CRYTALLINE FORMS THEREOF | HOFFMANN LA ROCHE (CH) | 2021-04-21 | — | — | EP | disclosed |