Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | PNMT | P11086 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | HTR2B | P41595 | 3/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25025814 | 0.89 | PNMT (0.47) | CYP11B1CYP11B2PNMTMEN1ALDH1A1 | |
| SCHEMBL9491648 | 0.81 | PNMT (0.46) | PNMTHTR2AHTR2CHTR2B | |
| SCHEMBL10203283 | 0.81 | ALDH1A1 (0.39) | CYP11B1CYP11B2MEN1ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL9729718 | 0.80 | PNMT (0.45) | PNMTSRD5A1 | |
| SCHEMBL16867892 | 0.78 | KCNH2 (0.46) | PNMTMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL31757570 | 0.78 | KCNH2 (0.46) | PNMTMEN1KMT2AHTR2AHTR2C | |
| SCHEMBL2387705 | 0.78 | PNMT (0.44) | PNMTALDH1A1HTR2AHTR2CHTR2B | |
| SCHEMBL9729811 | 0.77 | HTR2A (0.41) | PNMTHTR2AHTR2CHTR2BSRD5A1 | |
| SCHEMBL9730384 | 0.77 | PNMT (0.40) | PNMTHTR2AHTR2CHTR2BSRD5A1 | |
| SCHEMBL9492077 | 0.77 | DRD2 (0.54) | CYP11B1CYP11B2PNMTHTR2AHTR2C |
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-5079245-A | 2-trifluoromethyl-7-substitute-6,7,8,9-tetrahydro-[5H]-benzocycloheptenes | ADIR ET COMPAGNIE (FR) | 1992-01-07 | — | — | US | disclosed |