Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | CES2 | O00748 | 2/20 | 0.65 |
| ▸ | CES1 | P23141 | 2/20 | 0.65 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.62 |
| ▸ | PARP1 | P09874 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 5/20 | 0.60 |
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | MITF | O75030 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29351426 | 0.93 | CES2 (0.74) | CA1CA2KDM4ECES2CES1 | |
| SCHEMBL6827745 | 0.93 | CES2 (0.74) | CA1CA2KDM4ECES2CES1 | |
| SCHEMBL63427 | 0.93 | CES2 (0.74) | CA1CA2KDM4ECES2CES1 | |
| Hydrochloric Acid SCHEMBL30142542 | 0.91 | CES2 (0.71) | KDM4ECES2CES1CYP2C8PARP1 | |
| SCHEMBL1448094 | 0.91 | CES2 (0.71) | KDM4ECES2CES1CYP2C8PARP1 | |
| Hydrochloric Acid SCHEMBL5773812 | 0.91 | CES2 (0.71) | KDM4ECES2CES1CYP2C8PARP1 | |
| Water SCHEMBL27893543 | 0.91 | CES2 (0.71) | KDM4ECES2CES1CYP2C8PARP1 | |
| SCHEMBL10403563 | 0.91 | CES2 (0.71) | KDM4ECES2CES1CYP2C8PARP1 | |
| Acetic Acid SCHEMBL6440401 | 0.89 | CES2 (0.69) | KDM4ECES2CES1CYP2C8PARP1 | |
| Formaldehyde SCHEMBL11142552 | 0.89 | CES2 (0.69) | KDM4ECES2CES1CYP2C8PARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104136031-B | Benzoic acid, benzoic acid derivative and heteroaryl carboxylic acid conjugates of hydromorphone, prodrugs, methods of making and using thereof | KEMPHARM, INC. (US) | 2016-05-04 | — | — | CN | disclosed |