Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.33 |
| ▸ | GLRB | P48167 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | ESRRA | P11474 | 1/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7707662 | 0.81 | ALOX15 (0.41) | CA2PTGDR2ATMGAANPSR1 | |
| SCHEMBL61454 | 0.77 | TP53 (0.46) | CA2GABRA1GABRB2TDP1ALDH1A1 | |
| SCHEMBL31487092 | 0.77 | TP53 (0.46) | CA2GABRA1GABRB2TDP1ALDH1A1 | |
| SCHEMBL10906475 | 0.71 | CA2 (0.56) | CA2GABRA1GABRB2GLRA3GLRB | |
| SCHEMBL27199180 | 0.71 | PTGDR2 (0.39) | CA2PTGDR2GABRA1GABRB2GLRA3 | |
| SCHEMBL27947755 | 0.69 | PTGDR2 (0.40) | PTGDR2TDP1ATMALDH1A1GAA | |
| SCHEMBL10538275 | 0.69 | CA2 (0.48) | CA2GABRA1GABRB2GLRA3GLRB | |
| SCHEMBL31046788 | 0.68 | MEN1 (0.39) | CA2ALDH1A1GAA | |
| SCHEMBL28381553 | 0.68 | ALOX15 (0.41) | PTGDR2ATMALDH1A1GAANPSR1 | |
| SCHEMBL29601537 | 0.68 | CA2 (0.52) | CA2GABRA1GABRB2GLRA3GLRB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0372409-B1 | Acylaminoalkylpyridineamides as inhibitors of tumor metastasis | SEARLE & CO (US) | 1993-10-27 | — | — | EP | disclosed |
| EP-0372410-B1 | Use of heterocyclic amides to inhibit tumor metastasis | SEARLE & CO (US) | 1993-10-20 | — | — | EP | disclosed |
| US-5030642-A | Antitumor agents | G. D. SEARLE & CO. (US) | 1991-07-09 | — | — | US | disclosed |
| US-5010080-A | !anticarcinogenic agents | G. D. SEARLE & CO. (US) | 1991-04-23 | — | — | US | disclosed |
| EP-0372409-A2 | Acylaminoalkylpyridineamides as inhibitors of tumor metastasis | G.D. Searle & Co. (US) | 1990-06-13 | — | — | EP | disclosed |
| EP-0372410-A2 | Use of heterocyclic amides to inhibit tumor metastasis | G.D. Searle & Co. (US) | 1990-06-13 | — | — | EP | disclosed |