Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15568763 | 0.93 | CYP3A4 (0.37) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL27181788 | 0.93 | CYP3A4 (0.33) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL29078535 | 0.91 | CYP3A4 (0.42) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL30152586 | 0.91 | CYP3A4 (0.39) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL15579618 | 0.91 | CYP3A4 (0.42) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL1041208 | 0.91 | CYP3A4 (0.39) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL30152476 | 0.91 | CYP3A4 (0.42) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL15568164 | 0.90 | ALOX5 (0.31) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| Lithium SCHEMBL5448277 | 0.89 | CYP3A4 (0.41) | CYP3A4ABCB11LMNACYP1A2CHRM2 | |
| SCHEMBL3207905 | 0.88 | TSHR (0.37) | CYP3A4ABCB11LMNACYP1A2CHRM2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2203051-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | Abbott Laboratories (US) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009042193-A1 | OCTAHYDROPENTALENE COMPOUNDS AS CHEMOKINE RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 2009-04-02 | — | — | WO | disclosed |
| US-6323315-B1 | FOR THERAPY OF CANCER | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-27 | — | — | US | disclosed |
| WO-2001018032-A2 | DOLASTATIN PEPTIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-15 | — | — | WO | disclosed |
| EP-0417746-B1 | N-Azabicyclo/3.3.0/octane amides of aromatic acids | SEARLE & CO (US) | 1994-11-23 | — | — | EP | disclosed |
| EP-0417746-A2 | N-Azabicyclo/3.3.0/octane amides of aromatic acids | G.D. Searle & Co. (US) | 1991-03-20 | — | — | EP | disclosed |
| US-4992461-A | Treating gastrointestinal disorders | G. D. SEARLE & CO. (US) | 1991-02-12 | — | — | US | disclosed |