Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALOX5AP | P20292 | 7/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 4/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6214082 | 0.87 | GRM2 (0.39) | CYP1A2CYP2D6CYP2C9CYP2C19GRM2 | |
| SCHEMBL5864495 | 0.85 | HTT (0.40) | CYP2C19AVPR1AALDH1A1KMT2ALMNA | |
| SCHEMBL5864492 | 0.84 | KDM4E (0.38) | GRM2AVPR1AALDH1A1TSHR | |
| SCHEMBL6777744 | 0.71 | TBXA2R (0.52) | ALOX5APTBXA2R | |
| SCHEMBL5864485 | 0.70 | AGTR1 (0.53) | ALDH1A1TDP1 | |
| SCHEMBL8411049 | 0.70 | USP2 (0.55) | CYP2D6ALOX5APTBXA2RHRH1 | |
| SCHEMBL9119861 | 0.69 | AGTR1 (0.64) | MEN1KMT2ALMNA | |
| SCHEMBL3858048 | 0.68 | HTT (0.52) | ALDH1A1KMT2AHIF1A | |
| SCHEMBL5864383 | 0.67 | PDE6D (0.51) | CYP2D6HRH1KCNH2 | |
| SCHEMBL5864446 | 0.67 | AGTR1 (0.48) | ALOX5APTBXA2R |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6984642-B1 | Substituted phenylcyclohexane carboxylic acid amides and their use as adenosine uptake inhibitors | BAYER AKTIENGESELLSCHAFT (DE) | 2006-01-10 | — | — | US | disclosed |
| EP-1187812-B1 | SUBSTITUTED PHENYLCYCLOHEXANE CARBOXYLIC ACID AMIDES AND THEIR USE AS ADENOSINE UPTAKE INHIBITORS | BAYER HEALTHCARE AG (DE) | 2005-09-07 | — | — | EP | disclosed |
| US-6716849-B1 | ISCHEMIC BRAIN DISORDERS; NEUROPROTECTANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2004-04-06 | — | — | US | disclosed |