Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CD69 | Q07108 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.36 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.36 |
| ▸ | UGT1A6 | P19224 | 1/20 | 0.36 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27656318 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL11571217 | 0.79 | TAAR1 (0.44) | ALDH1A1HPGDCYP2C9CYP2C19BCHE | |
| SCHEMBL27498098 | 0.78 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL7556216 | 0.76 | TRPA1 (0.49) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL225715 | 0.76 | PNMT (0.60) | AKR1B1TDP1DUSP3PTPN5PTPN11 | |
| SCHEMBL1470487 | 0.76 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL7598451 | 0.75 | ALDH1A1 (0.39) | ALDH1A1HPGDKDM4EMEN1KMT2A | |
| SCHEMBL30293112 | 0.75 | AKR1B1 (0.48) | AKR1B1TDP1HPGDKDM4ECD69 | |
| SCHEMBL27831976 | 0.75 | ALDH1A1 (0.40) | TDP1ALDH1A1HPGDKDM4EMEN1 | |
| SCHEMBL28259632 | 0.75 | KMT2A (0.40) | ALDH1A1HPGDKDM4EMEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002070680-A1 | METHOD OF IDENTIFYING INHIBITORS OF CDC25 | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-12 | — | — | WO | claimed |
| CN-108602955-B | Photocuring method, compound used in photocuring method, and composition | 富士胶片和光纯药株式会社 | 2021-08-06 | — | — | CN | disclosed |
| EP-0068563-A2 | Heterocyclic acetic acid compounds and compositions for treating bone diseases | THE PROCTER & GAMBLE COMPANY (US) | 1983-01-05 | — | — | EP | disclosed |
| US-4136197-A | HYPOGLYCAEMICALLY AND HYPOLIPIDAEMICALLY EFFECTIVE N-SUBSTITUTED CARBOXYLIC ACID AMIDES | BOEHRINGER MANNHEIM GMBH (DE) | 1979-01-23 | — | — | US | disclosed |
| US-3981887-A | Sulfoxides and sulfones | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-21 | — | — | US | disclosed |