Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 8/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.42 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.42 |
| ▸ | TACR3 | P29371 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5740755 | 0.85 | TACR1 (0.66) | TACR1TACR3 | |
| SCHEMBL5740296 | 0.85 | TACR1 (0.60) | TACR1P2RX1TACR3GABRPGABRD | |
| SCHEMBL5742180 | 0.80 | TACR1 (0.50) | TACR1LMNAHPGDTACR3GPBAR1 | |
| SCHEMBL5741035 | 0.78 | TACR1 (0.57) | TACR1P2RX1TACR3GABRPGABRD | |
| SCHEMBL5741798 | 0.77 | TACR1 (0.64) | TACR1GPBAR1 | |
| SCHEMBL5740693 | 0.75 | TACR1 (0.56) | TACR1P2RX1TACR3GABRPGABRD | |
| SCHEMBL5739710 | 0.75 | TACR1 (0.61) | TACR1TACR3 | |
| SCHEMBL5741613 | 0.73 | TACR1 (0.65) | TACR1TACR3 | |
| SCHEMBL6869124 | 0.72 | TACR1 (0.70) | TACR1TACR3GPBAR1 | |
| SCHEMBL28944945 | 0.72 | ALDH1A1 (0.56) | ALDH1A1HTTLMNACYP1A2PGR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1483241-A4 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2006-12-13 | — | — | EP | disclosed |
| EP-1157006-B1 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | EP | disclosed |
| EP-1483241-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2004-12-08 | — | — | EP | disclosed |
| WO-2003075853-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-09-18 | — | — | WO | disclosed |
| US-6596773-B2 | Central nervous system disorders | HOFFMANN-LA ROCHE INC. | 2003-07-22 | — | — | US | disclosed |
| US-20020111367-A1 | Phenyl substituted pyridine and benzene derivatives | BOS MICHAEL (CA) | 2002-08-15 | — | — | US | disclosed |
| US-6407111-B1 | SUBSTANCE P OR NEUROKININ 1 ANTAGONISTS; ANTIINFLAMMATORY, ANTIDEPRESSANT, ANTIARTHRITIC, AND ANTIASTHMATIC AGENTS; PARKINSON*S DISEASE, INFLAMMATORY BOWEL DISEASE, CENTRAL NERVOUS SYSTEM AND RHEUMATIC DISORDERS | HOFFMANN-LA ROCHE INC. | 2002-06-18 | — | — | US | disclosed |
| EP-1157006-A2 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-11-28 | — | — | EP | disclosed |
| WO-2000050398-A2 | PHENYL- AND PYRIDINYL DERIVATIVES AS NEUROKININ 1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-08-31 | — | — | 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-20020111367-A1 | Phenyl substituted pyridine and benzene derivatives | BDKRB1, BAK1, PBK | TACR1 16/4885ALDH1A1 754/4885HTT 4351/4885 |
“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.