Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CPA1 | P15085 | 4/20 | 0.42 |
| ▸ | CPA3 | P15088 | 3/20 | 0.42 |
| ▸ | CPB1 | P15086 | 1/20 | 0.42 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL7596061 | 0.97 | CYP1A2 (0.43) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL29588115 | 0.97 | CYP1A2 (0.43) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL7597594 | 0.94 | CYP1A2 (0.48) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL8398238 | 0.92 | CYP1A2 (0.47) | CYP1A2CPA1CPA3CPB1CPB2 | |
| Thiocyanic Acid SCHEMBL28131168 | 0.89 | CYP1A2 (0.37) | CYP1A2CPA1CPA3CPB1CPB2 | |
| Isothiocyanate SCHEMBL28348502 | 0.89 | CYP1A2 (0.37) | CYP1A2CPA1CPA3CPB1CPB2 | |
| Isothiocyanate SCHEMBL28345554 | 0.88 | CYP1A2 (0.36) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL9468369 | 0.87 | CYP1A2 (0.52) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL21864 | 0.87 | CYP1A2 (0.52) | CYP1A2CPA1CPA3CPB1CPB2 | |
| SCHEMBL6428029 | 0.86 | LAP3 (0.43) | CYP1A2CPA1CPA3CPB1CPB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0915829-A1 | DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY | BRACCO S.p.A. (IT) | 1999-05-19 | — | — | EP | claimed |
| WO-1998005625-A1 | DIAGNOSTIC IMAGING CONTRAST AGENT WITH IMPROVED IN-SERUM-RELAXIVITY | BRACCO S.P.A. (IT) | 1998-02-12 | — | — | WO | claimed |
| US-6403055-B1 | CARBOXYLATED POLYAMINE COMPOUND | DIBRA S.P.A. (IT) | 2002-06-11 | — | — | US | disclosed |