Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11703405 | 1.00 | ALDH1A1 (0.35) | ALDH1A1POLBLMNAALOX12HPGD | |
| SCHEMBL11767673 | 1.00 | ALDH1A1 (0.35) | ALDH1A1POLBLMNAALOX12HPGD | |
| SCHEMBL11702895 | 0.83 | ALDH1A1 (0.38) | ALDH1A1POLBLMNAALOX12HPGD | |
| Hydrochloric Acid SCHEMBL11708273 | 0.81 | LMNA (0.37) | ALDH1A1POLBLMNAALOX12HPGD | |
| SCHEMBL17355132 | 0.78 | BACE1 (0.41) | TDP1HSD11B1 | |
| Hydrochloric Acid SCHEMBL11703161 | 0.78 | LMNA (0.38) | ALDH1A1POLBLMNAALOX12HPGD | |
| SCHEMBL11704756 | 0.76 | ALDH1A1 (0.32) | ALDH1A1POLBLMNANPSR1MAPK1 | |
| SCHEMBL11703613 | 0.76 | ALDH1A1 (0.41) | ALDH1A1POLBLMNAALOX12HPGD | |
| SCHEMBL11801001 | 0.75 | OPRL1 (0.46) | ALDH1A1LMNANPSR1KDM4EGAA | |
| SCHEMBL11765467 | 0.74 | — | — |
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 3 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-3932425-A | CNS DEPRESSANT, BLOOD PRESSURE LOWERING | THE UPJOHN COMPANY (US) | 1976-01-13 | — | — | US | disclosed |