Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1160300 | 0.87 | CYP1A2 (0.50) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL10259123 | 0.82 | HPGD (0.49) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL359444 | 0.81 | HTT (0.46) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL17326905 | 0.79 | CYP1A2 (0.43) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL5863367 | 0.79 | HPGD (0.43) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL15908759 | 0.79 | CYP1A2 (0.43) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL15908767 | 0.79 | CYP1A2 (0.43) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL9920376 | 0.79 | CYP1A2 (0.43) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL20594678 | 0.77 | LMNA (0.41) | CYP1A2LMNACYP3A4MAOATSHR | |
| SCHEMBL14794902 | 0.76 | KDM4E (0.42) | CYP1A2LMNACYP3A4MAOATSHR |
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-2014115171-A1 | TRIAZINE COMPOUNDS AND A PROCESS FOR PREPARATION THEREOF | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2014-07-31 | — | — | WO | disclosed |