Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 7/20 | 0.38 |
| ▸ | F10 | P00742 | 6/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 4/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.38 |
| ▸ | FLT3 | P36888 | 6/20 | 0.37 |
| ▸ | KDR | P35968 | 5/20 | 0.37 |
| ▸ | KIT | P10721 | 4/20 | 0.37 |
| ▸ | TMPRSS6 | Q8IU80 | 1/20 | 0.34 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | PLAT | P00750 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28054248 | 0.99 | F2 (0.37) | F2F10PRSS1PRSS2PRSS3 | |
| SCHEMBL4398019 | 0.76 | ALDH1A1 (0.45) | PTGS2MEN1NPC1TP53RAB9A | |
| SCHEMBL27809428 | 0.74 | MAPK14 (0.49) | PTGS2KMT2AMAPK13MAP4K4 | |
| SCHEMBL27809403 | 0.71 | CYP2C8 (0.46) | KIF11NPC1TP53RAB9AMAP4K4 | |
| SCHEMBL27985004 | 0.70 | ALDH1A1 (0.59) | MEN1KMT2AHSD17B10 | |
| Hydrochloric Acid SCHEMBL28054231 | 0.69 | ALDH1A1 (0.57) | MEN1KMT2AHSD17B10 | |
| SCHEMBL6633616 | 0.69 | ADORA2A (0.47) | PTGS2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL399197 | 0.69 | KIF11 (0.48) | F2PRSS1PRSS2PRSS3TMPRSS6 | |
| 4-Guanidino-Benzoic Acid SCHEMBL211005 | 0.68 | F2 (0.57) | F2PRSS1PRSS2PRSS3TMPRSS6 | |
| SCHEMBL27809437 | 0.68 | KMO (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104119287-B | Novel Acrosin inhibitor of isoxazole and preparation method thereof | ARMY MEDICAL UNIV. NO.2, CHINESE PLA (CN) | 2016-04-20 | — | — | CN | claimed |
| CN-104119287-A | Isoxazole novel acrosin inhibitor and preparation method thereof | UNIV PLA 2ND MILITARY MEDICAL | 2014-10-29 | — | — | CN | claimed |
| CN-104119287-B | Novel Acrosin inhibitor of isoxazole and preparation method thereof | ARMY MEDICAL UNIV. NO.2, CHINESE PLA (CN) | 2016-04-20 | — | — | CN | disclosed |
| CN-104119287-A | Isoxazole novel acrosin inhibitor and preparation method thereof | UNIV PLA 2ND MILITARY MEDICAL | 2014-10-29 | — | — | CN | disclosed |