Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.43 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7448575 | 0.82 | GSK3B (0.53) | GSK3BCES2CES1PTPN1ACP3 | |
| SCHEMBL839084 | 0.81 | CES2 (0.53) | GSK3BCES2CES1PTPN1ACP3 | |
| SCHEMBL15228996 | 0.81 | CES2 (0.45) | GSK3BCES2 | |
| SCHEMBL840763 | 0.80 | GSK3B (0.47) | GSK3BCES2CES1EPHX2AKR1C3 | |
| SCHEMBL330908 | 0.79 | CES2 (0.53) | CES2ACP3AKR1C3AKR1C2 | |
| SCHEMBL23182220 | 0.78 | CES2 (0.50) | GSK3BCES2CES1NR4A1NR4A2 | |
| SCHEMBL13170119 | 0.78 | CES2 (0.65) | GSK3BCES2CES1NR4A1NR4A2 | |
| SCHEMBL330957 | 0.78 | HDAC3 (0.44) | CES2CES1PTPN1 | |
| SCHEMBL17634288 | 0.78 | GSK3B (0.45) | GSK3BCES2CES1PTPN1ACP3 | |
| SCHEMBL17634101 | 0.78 | NPSR1 (0.47) | GSK3BCES2CES1PTPN1EPHX2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3197900-A1 | INHIBITORS OF HIF PROLYL HYDROXYLASE | Merck Sharp & Dohme Corp. (US) | 2017-08-02 | — | — | EP | disclosed |
| WO-2016049099-A1 | INHIBITORS OF HIF PROLYL HYDROXYLASE | MERCK SHARP & DOHME CORP. (US) | 2016-03-31 | — | — | WO | disclosed |
| US-5405860-A | Fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1995-04-11 | — | — | US | disclosed |
| US-4912122-A | Triazolyl alkanones or triazolyl-alkanols | BAYER AKTIENGESELLSCHAFT (DE) | 1990-03-27 | — | — | US | disclosed |
| US-4776877-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1988-10-11 | — | — | US | disclosed |
| US-4772623-A | FUNGICIDES, MICROBIOCIDES, PLANT GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-09-20 | — | — | US | disclosed |
| US-4582843-A | FUNGICIDES, MICROBIOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1986-04-15 | — | — | US | disclosed |