Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.55 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.50 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.50 |
| ▸ | VNN1 | O95497 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL28093413 | 0.92 | CA2 (0.64) | ALDH1A1CA2SRD5A2LMNA | |
| SCHEMBL11137347 | 0.84 | CA2 (0.55) | CA2SRD5A2 | |
| SCHEMBL1415906 | 0.83 | SRD5A2 (0.73) | ALDH1A1CA2SRD5A2ATMTDP1 | |
| SCHEMBL25676 | 0.83 | CES1 (0.64) | ALDH1A1CA2PLA2G10PLA2G2AL3MBTL1 | |
| SCHEMBL29163965 | 0.82 | SRD5A2 (0.79) | ALDH1A1SRD5A2ATMTDP1L3MBTL1 | |
| Methane SCHEMBL11705397 | 0.82 | SRD5A2 (0.71) | ALDH1A1CA2SRD5A2ATMTDP1 | |
| SCHEMBL3690716 | 0.81 | CA2 (0.61) | ALDH1A1CA2SRD5A2 | |
| Methane SCHEMBL2335788 | 0.81 | CES1 (0.61) | ALDH1A1CA2PLA2G10PLA2G2AL3MBTL1 | |
| SCHEMBL4165526 | 0.81 | CES1 (0.61) | ALDH1A1CA2PLA2G10PLA2G2AL3MBTL1 | |
| Hydrochloric Acid SCHEMBL1621316 | 0.81 | CES1 (0.61) | ALDH1A1CA2PLA2G10PLA2G2AL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105777609-A | Preparation method of 7-benzoyl-1, 3-indoline-2-ketone | 南京工业大学 | 2016-07-20 | — | — | CN | disclosed |
| CN-102438979-A | Novel crystal of benzoylphenylacetamide derivative | MEDICHEM SA | 2012-05-02 | — | — | CN | disclosed |
| US-6245817-B1 | NEUROPEPTIDE Y | BAYER CORPORATION | 2001-06-12 | — | — | US | disclosed |