Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | HPGDS | O60760 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL28324811 | 0.79 | HPGDS (0.46) | DAOHPGDSCES2CES1HPGD | |
| SCHEMBL182010 | 0.73 | CES2 (0.71) | DAOHPGDSCES2CES1HPGD | |
| Cyclopentane SCHEMBL8081415 | 0.72 | HPGDS (0.63) | DAOHPGDSCES2CES1HPGD | |
| Thiophene Carboxylic Acid SCHEMBL28789119 | 0.69 | DAO (0.76) | DAOHPGDSCES2CES1HPGD | |
| Piperazine SCHEMBL28327330 | 0.68 | ALDH1A1 (0.45) | DAOCES2CES1ALDH1A1RAB9A | |
| SCHEMBL6793430 | 0.68 | HPGDS (0.83) | DAOHPGDSCES2CES1HPGD | |
| Thiophene Carboxylic Acid SCHEMBL7062244 | 0.67 | DAO (1.00) | DAOHPGDSCES2CES1HPGD | |
| SCHEMBL225933 | 0.67 | — | — | |
| Thiophene Carboxylic Acid SCHEMBL83000 | 0.67 | — | — | |
| Thiophene Carboxylic Acid SCHEMBL27774764 | 0.67 | DAO (1.00) | DAOHPGDSCES2CES1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0000649-B1 | 5-SUBSTITUTED-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBONITRILES AND PROCESS FOR THEIR CONVERSION TO THE CORRESPONDING 1-CARBOXYLIC ACIDS | SYNTEX (U.S.A.) INC. (US) | 1981-03-25 | — | — | EP | claimed |
| EP-0000649-B1 | 5-SUBSTITUTED-1,2-DIHYDRO-3H-PYRROLO(1,2-A)PYRROLE-1-CARBONITRILES AND PROCESS FOR THEIR CONVERSION TO THE CORRESPONDING 1-CARBOXYLIC ACIDS | SYNTEX (U.S.A.) INC. (US) | 1981-03-25 | — | — | EP | disclosed |