Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25240475 | 0.98 | SIGMAR1 (0.54) | SIGMAR1ADRA2ATSHRHTR2CDRD2 | |
| SCHEMBL30818440 | 0.89 | SIGMAR1 (0.58) | SIGMAR1ADRA2ATSHRHTR2CDRD2 | |
| SCHEMBL12019283 | 0.87 | TSHR (0.56) | SIGMAR1ADRA2ATSHRHTR2CDRD2 | |
| SCHEMBL30529399 | 0.86 | ALDH1A1 (0.41) | SIGMAR1TSHRPOLBALDH1A1LMNA | |
| SCHEMBL11706445 | 0.86 | ALDH1A1 (0.41) | SIGMAR1TSHRPOLBALDH1A1LMNA | |
| SCHEMBL11826830 | 0.81 | HTR2C (0.45) | SIGMAR1ADRA2ATSHRHTR2CDRD2 | |
| SCHEMBL11703956 | 0.81 | SIGMAR1 (0.51) | SIGMAR1ADRA2ATSHRHTR2CDRD2 | |
| SCHEMBL1793089 | 0.79 | HTR2C (0.52) | SIGMAR1ADRA2ATSHRHTR2CDRD2 | |
| SCHEMBL29790905 | 0.79 | SIGMAR1 (0.50) | SIGMAR1ADRA2ATSHRHTR2CDRD2 | |
| SCHEMBL15720982 | 0.79 | TSHR (0.41) | SIGMAR1ADRA2ATSHRPOLBALDH1A1 |
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 |