Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 9/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.60 |
| ▸ | APP | P05067 | 1/20 | 0.60 |
| ▸ | RXRA | P19793 | 1/20 | 0.55 |
| ▸ | RXRB | P28702 | 1/20 | 0.55 |
| ▸ | RXRG | P48443 | 1/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.53 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 2/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL31261540 | 0.90 | PTGS2 (0.69) | PTGS2CYP3A4CYP2C9CYP2C19RXRA | |
| SCHEMBL27403095 | 0.90 | PTGS2 (0.69) | PTGS2CYP3A4CYP2C9CYP2C19RXRA | |
| SCHEMBL9981046 | 0.85 | PTGS2 (0.59) | PTGS2CYP3A4CYP2C9CYP2C19APP | |
| SCHEMBL6271148 | 0.85 | PTGS2 (0.59) | PTGS2CYP3A4CYP2C9CYP2C19APP | |
| SCHEMBL1678786 | 0.82 | PTGS2 (0.74) | PTGS2CYP3A4CYP2C9CYP2C19APP | |
| SCHEMBL6270587 | 0.81 | AKR1C3 (0.63) | PTGS2RXRARXRBRXRGAKR1C3 | |
| SCHEMBL9444855 | 0.81 | AKR1C3 (0.65) | PTGS2CYP2C9CYP2C19APPAKR1C3 | |
| SCHEMBL490681 | 0.80 | PTGS1 (0.61) | PTGS2CYP3A4CYP2C9CYP2C19APP | |
| SCHEMBL3858080 | 0.80 | PTGS1 (0.61) | PTGS2CYP3A4CYP2C9CYP2C19APP | |
| SCHEMBL1513546 | 0.80 | RXRA (0.64) | CYP3A4CYP2C9RXRARXRBRXRG |
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 |
|---|---|---|---|---|---|---|---|
| US-7923573-B2 | Benzene compound having 2 or more substituents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-04-12 | — | — | US | disclosed |
| EP-1748984-A1 | PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS | Pfizer Products Inc. (US) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005110987-A1 | PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2005-11-24 | — | — | WO | disclosed |
| US-20050256164-A1 | NK1 and NK3 antagonists | PFIZER INC | 2005-11-17 | — | — | US | 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-20050256164-A1 | NK1 and NK3 antagonists | TAC3, TACR1, TACR2 | PTGS2 1321/4885CYP3A4 2340/4885CYP2C9 3981/4885 |
“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.