Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | OTUD7B | Q6GQQ9 | 1/20 | 0.35 |
| ▸ | PPOX | P50336 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | VHL | P40337 | 1/20 | 0.33 |
| ▸ | ELOC | Q15369 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17355138 | 0.85 | BACE1 (0.37) | METAP1F7PARP1F3PARP10 | |
| SCHEMBL7889527 | 0.82 | METAP1 (0.41) | METAP1PARP1PARP10TGM2CES1 | |
| Hydrochloric Acid SCHEMBL11707926 | 0.78 | HTR2C (0.38) | METAP1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL11703613 | 0.78 | ALDH1A1 (0.41) | CES1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL8779056 | 0.76 | F7 (0.39) | METAP1F7PARP1F3PARP10 | |
| SCHEMBL11821694 | 0.75 | HTR2C (0.38) | METAP1F7PARP1F3PARP10 | |
| SCHEMBL7887821 | 0.73 | HTR2A (0.45) | F7PARP1F3PARP10S100A4 | |
| SCHEMBL7890176 | 0.72 | BACE1 (0.52) | OTUD7B | |
| SCHEMBL7888134 | 0.72 | PGR (0.44) | METAP1HTR2CHTR2BSIGMAR1 | |
| Ethylene SCHEMBL11809105 | 0.70 | METAP1 (0.40) | METAP1F7PARP1F3PARP10 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4025558-A | SPIRO(CYCLOHEXANE-1,1*(2'H)-NAPHTHALENE); BENZOSPIRAN DERIVATIVES; CNS DEPRESSANTS, LOWERS BLOOD PRESSURE | THE UPJOHN COMPANY (US) | 1977-05-24 | — | — | US | disclosed |
| US-4010201-A | AMINOBENZOSPIRANS, CENTRAL NERVOUS SYSTEM DEPRESSANT, HYPOTENSIVE | THE UPJOHN COMPANY (US) | 1977-03-01 | — | — | US | disclosed |
| US-3953425-A | Azepine indanyl and tetralin butyrophenones | THE UPJOHN COMPANY (US) | 1976-04-27 | — | — | US | disclosed |
| US-3932425-A | CNS DEPRESSANT, BLOOD PRESSURE LOWERING | THE UPJOHN COMPANY (US) | 1976-01-13 | — | — | US | disclosed |