Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 15/20 | 0.66 |
| ▸ | TSPO | P30536 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6925532 | 0.85 | TACR1 (0.65) | TACR1 | |
| SCHEMBL6928666 | 0.85 | TACR1 (0.69) | TACR1 | |
| SCHEMBL6926023 | 0.83 | TACR1 (0.69) | TACR1 | |
| SCHEMBL7801183 | 0.81 | TACR1 (0.66) | TACR1 | |
| SCHEMBL6923703 | 0.81 | TACR1 (0.64) | TACR1TSPO | |
| SCHEMBL6922478 | 0.80 | TACR1 (1.00) | TACR1 | |
| SCHEMBL6926951 | 0.80 | TSPO (0.59) | TACR1TSPOKDM4EALDH1A1CYP1A2 | |
| SCHEMBL6928698 | 0.79 | TACR1 (0.57) | TACR1 | |
| SCHEMBL6924338 | 0.77 | TACR1 (0.75) | TACR1 | |
| SCHEMBL7799897 | 0.76 | TSPO (0.64) | TACR1TSPOKDM4EALDH1A1CYP1A2 |
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-6127337-A | BASED ON HIRUDIN BUT WITH REDUCED SIZE; ACTIVE SITE INHIBITOR SEGMENT SUBSTITUTED BY SMALL NON-SUBSTRATE TYPE ACTIVE SITE INHIBITORS OF THROMBIN, SUCH AS DANSYL-ARG-(D-PIPECOLIC ACID); LINKER AND FIBRINOGEN RECOGNITION EXOSITE PORTION | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2000-10-03 | — | — | US | claimed |
| US-6518273-B1 | 2-aryl indole derivative as antagonists of tachykinins | MERCK SHARP & DOHME LTD. | 2003-02-11 | — | — | US | disclosed |
| WO-2000051984-A1 | 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS | MERCK SHARP & DOHME LIMITED (GB) | 2000-09-08 | — | — | WO | disclosed |