Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.68 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | RXRG | P48443 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | PAM | P19021 | 2/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3978022 | 0.92 | CA2 (0.56) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL10524559 | 0.85 | AKR1B1 (0.94) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL27273848 | 0.85 | AKR1B1 (0.94) | AKR1B1ABCC4LMNAGAATSHR | |
| Acetone SCHEMBL11568783 | 0.83 | KMT2A (0.51) | AKR1B1LMNAPTGS1FFAR1CES2 | |
| Acetic Acid SCHEMBL9276442 | 0.83 | KMT2A (0.51) | AKR1B1LMNAPTGS1FFAR1CES2 | |
| Carbamic Acid SCHEMBL27400265 | 0.83 | KMT2A (0.51) | AKR1B1LMNAPTGS1HTTFFAR1 | |
| Phenylacetic Acid SCHEMBL28262298 | 0.83 | AKR1B1 (0.74) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL27889531 | 0.83 | AKR1B1 (0.74) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL28215596 | 0.83 | AKR1B1 (0.90) | AKR1B1ABCC4LMNAGAATSHR | |
| Phenylacetic Acid SCHEMBL7579884 | 0.83 | AKR1B1 (0.90) | AKR1B1ABCC4LMNAGAATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007094885-A2 | IDENTIFICATION OF A NITRILASE FROM B. JAPONICUM BY RATIONAL GENOME MINING AND METHODS OF USE | SOUTHERN METHODIST UNIVERSITY (US) | 2007-08-23 | — | — | WO | disclosed |