Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 12/20 | 0.56 |
| ▸ | CES1 | P23141 | 11/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL25324982 | 1.00 | CES2 (0.56) | CES2CES1CYP2C19GAATSHR | |
| Methane SCHEMBL9572458 | 0.98 | CES2 (0.54) | CES2CES1CYP2C19GAATSHR | |
| SCHEMBL1369324 | 0.91 | CES2 (0.62) | CES2CES1CYP2C19GAATSHR | |
| SCHEMBL16597945 | 0.83 | PARP10 (0.53) | CES2CES1ALDH1A1POLBRAB9A | |
| SCHEMBL16597944 | 0.83 | PARP10 (0.53) | CES2CES1ALDH1A1POLBRAB9A | |
| SCHEMBL11416768 | 0.83 | CES2 (0.61) | CES2CES1CYP2C19GAATSHR | |
| SCHEMBL1372210 | 0.83 | CES2 (0.61) | CES2CES1CYP2C19GAATSHR | |
| SCHEMBL1370084 | 0.83 | CES2 (0.61) | CES2CES1CYP2C19GAATSHR | |
| SCHEMBL7991738 | 0.81 | NAPRT (0.50) | CYP2C19GAANAPRTALDH1A1MAPT | |
| SCHEMBL8913168 | 0.81 | CES2 (0.58) | CES2CES1MAPTL3MBTL1CA1 |
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-114644634-A | Pyrrole derivative and preparation method and application thereof | 深圳市祥根生物医药有限公司 | 2022-06-21 | — | — | CN | disclosed |
| CN-107207470-B | Antifungal agent | F2G有限公司 | 2019-12-03 | — | — | CN | disclosed |
| CN-109982704-A | Pharmaceutical preparation | F2G有限公司 | 2019-07-05 | — | — | CN | disclosed |
| CN-107207470-A | Antifungal agent | F2G有限公司 | 2017-09-26 | — | — | CN | disclosed |
| EP-0220923-B1 | Dipeptides and process | GRACE W R & CO (US) | 1994-04-27 | — | — | EP | disclosed |
| EP-0574028-A1 | Dipeptide analogs of aspertame and process to prepare them as well as a new preparation of aspertame | HAMPSHIRE CHEMICAL CORP. (US) | 1993-12-15 | — | — | EP | disclosed |
| US-4873359-A | Process for preparing as partyl-phenylalanine dipeptides | W. R. GRACE & CO. - CONN. (US) | 1989-10-10 | — | — | US | disclosed |
| US-4810817-A | ARTIFICIAL SWEETENERS | W. R. GRACE & CO. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4710583-A | ENZYMATIC COUPLING OF PHENYLSERINE WITH ASPARTIC ACID; HYDROGENATION | W. R. GRACE & CO. (US) | 1987-12-01 | — | — | US | disclosed |
| EP-0220923-A2 | Dipeptides and process | W.R. Grace & Co.-Conn. (US) | 1987-05-06 | — | — | EP | disclosed |