Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CCR2 | P41597 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.36 |
| ▸ | PTGDR | Q13258 | 4/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3554824 | 0.79 | CHRM3 (0.44) | KMT2ACYP3A4CYP2C9KEAP1NFE2L2 | |
| SCHEMBL16735608 | 0.78 | PDE2A (0.43) | KMT2AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL1625406 | 0.76 | AKR1C3 (0.48) | KMT2AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL20609267 | 0.73 | KEAP1 (0.39) | CYP3A4CYP2C9KEAP1NFE2L2TAS1R3 | |
| SCHEMBL1349804 | 0.73 | CYP3A4 (0.43) | KMT2AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL9899952 | 0.72 | SSTR4 (0.42) | CYP3A4CYP2C9KEAP1NFE2L2TAS1R3 | |
| SCHEMBL7550366 | 0.72 | MEN1 (0.44) | KMT2ACYP3A4CYP2C9AKR1C3AKR1C2 | |
| SCHEMBL15653888 | 0.72 | MEN1 (0.44) | KMT2ACYP3A4CYP2C9AKR1C3AKR1C2 | |
| SCHEMBL30628198 | 0.71 | KMO (0.41) | KMT2AHDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL4203592 | 0.71 | KEAP1 (0.61) | ALDH1A1CYP2C9KEAP1NFE2L2 |
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-2649045-B1 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER IP GMBH (DE) | 2015-05-27 | — | — | EP | disclosed |
| US-9018258-B2 | Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-04-28 | — | — | US | disclosed |
| EP-2649045-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012076466-A2 | SUBSTITUTED 1-BENZYLCYCLOALKYLCARBOXLIC ACIDS AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-14 | — | — | WO | disclosed |