Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.51 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.47 |
| ▸ | TP53BP1 | Q12888 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11468763 | 0.90 | ALDH1A1 (0.55) | CES2ALDH1A1POLBNPSR1TAS1R3 | |
| SCHEMBL31406174 | 0.87 | CES2 (0.69) | CES2ALDH1A1POLBNPSR1LMNA | |
| SCHEMBL9200320 | 0.87 | CES2 (0.69) | CES2ALDH1A1POLBNPSR1LMNA | |
| SCHEMBL7112385 | 0.86 | CES2 (0.56) | CES2ALDH1A1POLBNPSR1LMNA | |
| SCHEMBL11630586 | 0.86 | ACHE (0.55) | ALDH1A1POLBTAS1R3TAS1R1HDAC3 | |
| SCHEMBL10960544 | 0.85 | CES2 (0.54) | CES2ALDH1A1POLBNPSR1TAS1R3 | |
| SCHEMBL30786693 | 0.84 | CES2 (0.61) | CES2ALDH1A1POLBNPSR1TAS1R3 | |
| SCHEMBL1994068 | 0.84 | CES2 (0.61) | CES2ALDH1A1POLBNPSR1TAS1R3 | |
| SCHEMBL28392703 | 0.84 | CES2 (0.61) | CES2ALDH1A1POLBNPSR1LMNA | |
| SCHEMBL9200329 | 0.82 | CES2 (0.62) | CES2ALDH1A1POLBNPSR1LMNA |
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-20080167322-A1 | Substituted Pyrazoles as Modulators of Chemokine Receptors | MERCK SHARP & DOHME CORP. | 2008-07-10 | — | — | US | disclosed |
| EP-1853260-A1 | SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS | Merck & Co., Inc. (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006088813-A1 | SUBSTITUTED PYRAZOLES AS MODULATORS OF CHEMOKINE RECEPTORS | MERCK & CO., INC. (US) | 2006-08-24 | — | — | WO | 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-20080167322-A1 | Substituted Pyrazoles as Modulators of Chemokine Receptors | CCR1, CCR3, CCR2 | CES2 2446/4885ALDH1A1 2152/4885POLB 3350/4885 |
“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.