Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5892459 | 0.82 | TSHR (0.46) | TSHRSMN1; SMN2CYP3A4HPGDADRB2 | |
| SCHEMBL4651934 | 0.72 | — | — | |
| SCHEMBL21093891 | 0.71 | HTT (0.41) | TSHRSPHK1 | |
| SCHEMBL5892540 | 0.71 | TSHR (0.52) | TSHRSMN1; SMN2CYP3A4SPHK1 | |
| SCHEMBL25337857 | 0.69 | TSHR (0.48) | TSHRSMN1; SMN2CYP3A4HPGDADRB2 | |
| SCHEMBL24079471 | 0.69 | TSHR (0.48) | TSHRSMN1; SMN2CYP3A4HPGDADRB2 | |
| SCHEMBL9658698 | 0.68 | HTT (0.43) | TSHRSPHK1 | |
| SCHEMBL19835199 | 0.68 | HTT (0.43) | TSHRSPHK1 | |
| SCHEMBL19835254 | 0.68 | HTT (0.43) | TSHRSPHK1 | |
| SCHEMBL14578415 | 0.68 | TSHR (0.34) | TSHRSMN1; SMN2CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996036604-A1 | 4-ARYLCYCLOHEPTA[c]PYRROLE ANALGESICS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-11-21 | — | — | WO | disclosed |
| WO-1996036605-A1 | 4-ARYLCYCLOPENTA[c]PYRROLE ANALGESICS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-11-21 | — | — | WO | disclosed |
| US-5541217-A | 4-arylcyclopenta[c]pyrrole analgesics | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-07-30 | — | — | US | disclosed |
| US-5523412-A | AN UNSUBSTITUTED OR N-ALKYL- OR CYCLOALKYL-SUBSTITUTED PERHYDROCYCLOHEPTA(C)PYRROL-4-ONE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-06-04 | — | — | US | disclosed |