Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | METAP2 | P50579 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | AKT2 | P31751 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ASIC3 | Q9UHC3 | 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 | |
|---|---|---|---|---|
| SCHEMBL9438 | 0.76 | CYP1A2 (0.48) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| SCHEMBL28309054 | 0.74 | CYP1A2 (0.47) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| SCHEMBL514705 | 0.74 | CYP1A2 (0.47) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| SCHEMBL30636164 | 0.74 | CYP1A2 (0.47) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| SCHEMBL31519384 | 0.74 | CYP1A2 (0.47) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| Ammonia Solution, Strong SCHEMBL29843017 | 0.74 | CYP1A2 (0.47) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| SCHEMBL842040 | 0.74 | CYP1A2 (0.47) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| Phosphine SCHEMBL28114703 | 0.74 | CYP1A2 (0.47) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| SCHEMBL16800868 | 0.73 | CYP1A2 (0.45) | CYP1A2IDO1METAP2KEAP1RAB9A | |
| Bicarbonate SCHEMBL7945138 | 0.70 | TP53 (0.47) | CYP1A2IDO1METAP2KEAP1RAB9A |
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-2531490-A1 | CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS | Novartis AG (CH) | 2012-12-12 | — | — | EP | disclosed |
| WO-2011095450-A1 | CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS | NOVARTIS AG (CH) | 2011-08-11 | — | — | WO | disclosed |