Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | FEN1 | P39748 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | DOT1L | Q8TEK3 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1042856 | 0.85 | ALDH1A1 (0.59) | ALDH1A1FEN1DOT1LTSHRCES2 | |
| SCHEMBL11850279 | 0.83 | SRD5A2 (0.56) | ALDH1A1HPGDDOT1LTSHRCES2 | |
| SCHEMBL2876974 | 0.83 | GAA (0.58) | ALDH1A1HPGDCES2CES1JAK2 | |
| SCHEMBL611393 | 0.81 | MAPK1 (0.59) | ALDH1A1HPGDDOT1LCES2GAA | |
| SCHEMBL80183 | 0.80 | ALDH1A1 (0.64) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL19998299 | 0.80 | ALDH1A1 (0.64) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL103586 | 0.80 | ALDH1A1 (1.00) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL80182 | 0.80 | ALDH1A1 (0.64) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL1594842 | 0.79 | ALDH1A1 (0.45) | ALDH1A1FEN1HPGDNPC1GLA | |
| SCHEMBL9515912 | 0.79 | ALDH1A1 (0.45) | ALDH1A1FEN1HPGDNPC1GLA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103748076-A | ROR gamma T inhibitors | MERCK SHARP & DOHME | 2014-04-23 | — | — | CN | claimed |
| CN-104940202-B | Inhibitors of influenza viruses replication | 沃泰克斯药物股份有限公司 | 2018-10-16 | — | — | CN | disclosed |
| CN-107771178-A | Synthesis of heterocyclic compounds | 普莱希科公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-105531274-A | Keto-imidazopyridine derivatives as rorc modulators | HOFFMANN LA ROCHE | 2016-04-27 | — | — | CN | disclosed |
| CN-103748076-A | ROR gamma T inhibitors | MERCK SHARP & DOHME | 2014-04-23 | — | — | CN | disclosed |
| CN-1743355-A | Sulfonic group-containing polyarylene block copolymer, process for production thereof, solid polymer electrolyte and proton conductive membrane | JSR CORP (JP) | 2006-03-08 | — | — | CN | disclosed |
| US-5110940-A | Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase | BRISTOL-MYERS COMPANY (US) | 1992-05-05 | — | — | US | disclosed |
| US-5068346-A | Anticholesterol agents | BRISTOL-MYERS COMPANY (US) | 1991-11-26 | — | — | US | disclosed |
| US-4897490-A | DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE | BRISTOL-MEYERS COMPANY (US) | 1990-01-30 | — | — | US | disclosed |
| WO-1988006584-A1 | ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS | BRISTOL-MYERS COMPANY (US) | 1988-09-07 | — | — | WO | disclosed |