Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | CPB1 | P15086 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSK | P43235 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 3/20 | 0.46 |
| ▸ | CASP3 | P42574 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13069095 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL22721975 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL3829346 | 1.00 | ALDH1A1 (0.50) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL16155576 | 0.84 | CPB1 (0.53) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL6612597 | 0.81 | EPHX1 (0.63) | ALDH1A1GAACPB1TSHREPHX1 | |
| SCHEMBL4404936 | 0.80 | TSHR (0.47) | ALDH1A1GAACPB1TSHRTACR1 | |
| SCHEMBL5745869 | 0.79 | KDM1A (0.51) | TACR1 | |
| SCHEMBL5744386 | 0.79 | KDM1A (0.51) | TACR1 | |
| SCHEMBL5744384 | 0.79 | KDM1A (0.51) | TACR1 | |
| SCHEMBL5744393 | 0.79 | KDM1A (0.51) | TACR1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1545525-B1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-11-10 | — | — | EP | disclosed |
| EP-1119356-B1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-08-19 | — | — | EP | disclosed |
| EP-1545525-A4 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-07-01 | — | — | EP | disclosed |
| US-7354935-B2 | Radiolabeled neurokinin-1 receptor antagonists | MERCK & CO. INC. (US) | 2008-04-08 | — | — | US | disclosed |
| US-7354935-B2 | Radiolabeled neurokinin-1 receptor antagonists | MERCK & CO. INC. (US) | 2008-04-08 | — | — | US | disclosed |
| EP-1119356-A4 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-01-09 | — | — | EP | disclosed |
| US-20050214204-A1 | Radiolabeled neurokinin-1 receptor antagonists | MERCK SHARP & DOHME CORP. | 2005-09-29 | — | — | US | disclosed |
| EP-1545525-A2 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004029024-A2 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-04-08 | — | — | WO | disclosed |
| EP-1119356-A1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2001-08-01 | — | — | EP | disclosed |
| US-6241964-B1 | (F18)(2-FLUOROMETHOXY-5-(5-TRIFLUOROMETHYL-TETRAZOLE-1-YL) -BENZYL)-((2S,3S)-2-PHENYL-PIPERIDINE-3-YL)-AMINE OR SALT; HUMAN BRAIN TISSUE IMAGING USING POSITRON EMISSION TOMOGRAPHY | MERCK & CO., INC. | 2001-06-05 | — | — | US | disclosed |
| WO-2000018403-A1 | RADIOLABELED NEUROKININ-1 RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2000-04-06 | — | — | 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-20050214204-A1 | Radiolabeled neurokinin-1 receptor antagonists | TACR1, TACR2, NTSR1 | ALDH1A1 2092/4885GAA 3141/4885CPB1 892/4885 |
“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.