Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.72 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.72 |
| ▸ | AXL | P30530 | 1/20 | 0.65 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | EP300 | Q09472 | 1/20 | 0.44 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.44 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6066316 | 0.91 | CYP3A4 (0.59) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL4021511 | 0.87 | AXL (0.85) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL116945 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL30692015 | 0.85 | CYP3A4 (1.00) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| Iodide SCHEMBL11812745 | 0.83 | CYP3A4 (0.96) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| Hydrochloric Acid SCHEMBL1000639 | 0.83 | CYP3A4 (0.96) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL246823 | 0.79 | AXL (1.00) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL30319516 | 0.79 | AXL (1.00) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL30368877 | 0.77 | KDM4E (0.59) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 | |
| SCHEMBL196671 | 0.77 | KDM4E (0.59) | CYP3A4CYP2D6LMNACYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1660455-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005016890-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2005-02-24 | — | — | WO | disclosed |
| EP-1478363-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | Abbott Laboratories (US) | 2004-11-24 | — | — | EP | disclosed |
| WO-2003070247-A1 | FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR | ABBOTT LABORATORIES (US) | 2003-08-28 | — | — | WO | disclosed |