Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8673012 | 0.95 | CES1 (0.44) | CES1CES2AKR1B1TSHRGAA | |
| SCHEMBL4376010 | 0.80 | CES1 (0.43) | CES1CES2AKR1B1TSHRGAA | |
| SCHEMBL8667927 | 0.78 | CES1 (0.41) | CES1CES2AKR1B1TSHRGAA | |
| SCHEMBL7211952 | 0.78 | CES1 (0.41) | CES1CES2AKR1B1TSHRGAA | |
| SCHEMBL2456680 | 0.78 | CES1 (0.52) | CES1CES2AKR1B1TSHRGAA | |
| SCHEMBL4981463 | 0.77 | CES1 (0.60) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL6414155 | 0.77 | CES1 (0.40) | CES1CES2AKR1B1TSHRGAA | |
| SCHEMBL9709391 | 0.74 | CES1 (0.47) | CES1CES2AKR1B1TSHRGAA | |
| SCHEMBL9860999 | 0.74 | CES1 (0.47) | CES1CES2AKR1B1TSHRGAA | |
| SCHEMBL9709396 | 0.74 | CES1 (0.47) | CES1CES2AKR1B1TSHRGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6242052-B1 | BENZIMIDAZOLE COMPOUND | BASF COATINGS AG (DE) | 2001-06-05 | — | — | US | claimed |
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |