Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 8/20 | 0.44 |
| ▸ | THRA | P10827 | 3/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GALR3 | O60755 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6301951 | 0.79 | ESR1 (0.44) | KDM4ENPC1GALR3RAB9ACNR2 | |
| SCHEMBL12352208 | 0.76 | CNR2 (0.47) | THRATHRBKDM4ENPC1GALR3 | |
| SCHEMBL8910873 | 0.75 | CA12 (0.43) | KDM4ENPC1RAB9ACNR2 | |
| SCHEMBL1830052 | 0.73 | ESR1 (0.47) | KDM4ECNR2HSD17B3 | |
| SCHEMBL7182118 | 0.73 | ESR1 (0.47) | KDM4ECNR2HSD17B3 | |
| SCHEMBL7404753 | 0.72 | THRA (0.62) | GSK3BTHRAPTPN1KDM4E | |
| SCHEMBL774179 | 0.72 | GSK3B (0.61) | GSK3BPTPN1KDM4ENPC1RAB9A | |
| SCHEMBL10001068 | 0.72 | GSK3B (0.61) | GSK3BPTPN1KDM4ENPC1RAB9A | |
| SCHEMBL10001066 | 0.72 | GSK3B (0.61) | GSK3BPTPN1KDM4ENPC1RAB9A | |
| SCHEMBL1006322 | 0.72 | GSK3B (0.55) | GSK3BTHRATHRBPTPN1HSD17B3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5753659-A | ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, | ZENECA LIMITED (GB) | 1998-05-19 | — | — | US | disclosed |
| US-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |