Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16955505 | 0.80 | LMNA (0.40) | LMNAGABRA1CYP1A2CYP3A4GABRG2 | |
| SCHEMBL12251177 | 0.80 | LMNA (0.40) | LMNAGABRA1CYP1A2CYP3A4GABRG2 | |
| SCHEMBL535464 | 0.79 | GABRA1 (0.44) | LMNAGABRA1CYP1A2CYP3A4GABRG2 | |
| SCHEMBL2200187 | 0.78 | GABRA1 (0.55) | LMNAGABRA1CYP1A2CYP3A4GABRG2 | |
| SCHEMBL104772 | 0.78 | CYP3A4 (0.32) | GABRA1CYP1A2CYP3A4GABRB2TSHR | |
| SCHEMBL3250611 | 0.78 | GABRA1 (0.41) | LMNAGABRA1CYP1A2CYP3A4GABRG2 | |
| SCHEMBL28273769 | 0.74 | CYP1A2 (0.55) | LMNAGABRA1CYP1A2CYP3A4GABRG2 | |
| SCHEMBL2053017 | 0.72 | TSHR (0.38) | CYP1A2CYP3A4CA1CA2TSHR | |
| SCHEMBL95210 | 0.72 | TSHR (0.42) | LMNACYP1A2CYP3A4TSHRCYP2D6 | |
| SCHEMBL423182 | 0.72 | CYP1A2 (0.68) | LMNAGABRA1CYP1A2CYP3A4GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1963331-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |