Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TNK2 | Q07912 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ACP1 | P24666 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7776352 | 0.91 | TRPA1 (0.44) | TRPA1L3MBTL1TNK2ALDH1A1EPHX2 | |
| SCHEMBL7236815 | 0.91 | TRPA1 (0.44) | TRPA1L3MBTL1TNK2ALDH1A1EPHX2 | |
| SCHEMBL13131110 | 0.84 | TRPA1 (0.40) | TRPA1L3MBTL1TNK2ALDH1A1EPHX2 | |
| SCHEMBL13130994 | 0.82 | TRPA1 (0.39) | TRPA1L3MBTL1TNK2EPHX2MEN1 | |
| SCHEMBL3500438 | 0.82 | TNK2 (0.44) | L3MBTL1TNK2ALDH1A1KDM4EMEN1 | |
| SCHEMBL25202408 | 0.80 | TNFRSF1A (0.55) | ALDH1A1KDM4EMEN1KMT2ANPC1 | |
| SCHEMBL9876349 | 0.80 | KDM4E (0.39) | TNK2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL412542 | 0.80 | ALDH1A1 (0.39) | TNK2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL863095 | 0.80 | ALDH1A1 (0.58) | TNK2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL7272729 | 0.77 | MEN1 (0.39) | TNK2ALDH1A1KDM4EMEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206454-A1 | NOVEL INTEGRIN ALPHAvBETA3 INHIBITORS | MERCK PATENT GmbH (DE) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001014338-A1 | NOVEL INTEGRIN αVβ3 INHIBITORS | MERCK PATENT GMBH (DE) | 2001-03-01 | — | — | WO | disclosed |