Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | MT-CO2 | P00403 | 3/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL9091866 | 1.00 | CA1 (0.40) | CA1CA2CA4KMT2ACHRNB2 | |
| SCHEMBL7529457 | 0.94 | CHRNB2 (0.39) | CA1CA2CA4KMT2ACHRNB2 | |
| SCHEMBL9211243 | 0.94 | CHRNB2 (0.39) | CA1CA2CA4KMT2ACHRNB2 | |
| SCHEMBL9295659 | 0.94 | CHRNB2 (0.39) | CA1CA2CA4KMT2ACHRNB2 | |
| SCHEMBL1906035 | 0.94 | CHRNB2 (0.39) | CA1CA2CA4KMT2ACHRNB2 | |
| Hydrochloric Acid SCHEMBL29790561 | 0.92 | CHRNB2 (0.38) | CA1CA2CA4KMT2ACHRNB2 | |
| SCHEMBL3333826 | 0.85 | — | — | |
| SCHEMBL9090222 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL1904168 | 0.83 | CCR5 (0.35) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| Hydrochloric Acid SCHEMBL29964779 | 0.83 | CCR5 (0.35) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5602167-A | 4-arylcyclohepta[c] pyrrole analgesics | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-02-11 | — | — | 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 |