Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL7995537 | 0.85 | SRD5A2 (0.48) | MAPK1HPGDCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6679604 | 0.82 | SLC6A2 (0.41) | ADRB2TDP1TSHRMAPK1HIF1A | |
| SCHEMBL10609419 | 0.81 | ADRB2 (0.44) | ADRB2TDP1TSHRMAPK1HIF1A | |
| SCHEMBL7217195 | 0.79 | SLC6A2 (0.44) | ADRB2TDP1TSHRMAPK1HIF1A | |
| SCHEMBL15486101 | 0.78 | HTR2A (0.40) | TDP1LMNAHPGDSLC6A3SLC6A2 | |
| SCHEMBL9370511 | 0.78 | TSHR (0.42) | ADRB2TDP1TSHRMAPK1HIF1A | |
| SCHEMBL953630 | 0.78 | CHRNA7 (0.41) | TDP1LMNASLC6A3SLC6A2ESR1 | |
| SCHEMBL7857764 | 0.76 | ESR1 (0.67) | TDP1TSHRHIF1ALMNASLC6A3 | |
| SCHEMBL5724818 | 0.76 | TSHR (0.38) | TSHRTP53CYP3A4IDO1TDO2 | |
| SCHEMBL6645020 | 0.76 | TSHR (0.41) | ADRB2TDP1TSHRMAPK1HIF1A |
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 10 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 |
| US-20120172448-A1 | Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-07-05 | — | — | US | disclosed |
| EP-1448566-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003045942-A2 | CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2003-06-05 | — | — | WO | disclosed |
| EP-0450995-B1 | New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents | JOUVEINAL SA (FR) | 1994-06-08 | — | — | EP | disclosed |
| US-5236947-A | Side effect reduction | JOUVEINAL S.A. (FR) | 1993-08-17 | — | — | US | disclosed |
| US-5143938-A | PROPANAMINES, THEIR PHARMACOLOGICAL PROPERTIES AND THEIR APPLICATION FOR THERAPEUTIC IN PARTICULAR ANTIDIARRHEAL, PURPOSES | JOUVEINAL S.A. (FR) | 1992-09-01 | — | — | US | disclosed |
| EP-0450995-A1 | New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents | JOUVEINAL S.A. (FR) | 1991-10-09 | — | — | EP | disclosed |
| EP-0299684-A1 | Heterocyclic Compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-01-18 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120172448-A1 | Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof | PC, ACACA, PCCA | ADRB2 966/4885TDP1 3103/4885TSHR 4200/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.