Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK2 | O43353 | 1/20 | 0.50 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | SRC | P12931 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | CSK | P41240 | 1/20 | 0.50 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.50 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.50 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.50 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.50 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.50 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL544649 | 0.74 | ALDH1A1 (0.44) | ABL1SRCALDH1A1HPGDMAPT | |
| SCHEMBL6929153 | 0.73 | CDC25B (0.50) | ALDH1A1HPGDMAPTSMN1; SMN2HSD17B10 | |
| SCHEMBL28021718 | 0.72 | HTR2C (0.44) | RIPK2PRKD3ABL1FYNSRC | |
| SCHEMBL13036570 | 0.70 | HTR2C (0.40) | RIPK2PRKD3ABL1FYNSRC | |
| Hydrochloric Acid SCHEMBL31031035 | 0.66 | SRC (0.98) | RIPK2PRKD3ABL1FYNSRC | |
| SCHEMBL7830699 | 0.66 | NPC1 (0.42) | ALDH1A1HPGDMAPTSMN1; SMN2KDM4E | |
| SCHEMBL28312221 | 0.65 | ALDH1A1 (0.50) | RIPK2PRKD3ABL1FYNSRC | |
| SCHEMBL4535291 | 0.64 | HTR2A (0.53) | RIPK2PRKD3ABL1FYNSRC | |
| SCHEMBL29521589 | 0.64 | ALDH1A1 (0.65) | ALDH1A1HPGDMAPTSMN1; SMN2DHFR | |
| SCHEMBL56035 | 0.64 | ALDH1A1 (0.65) | ALDH1A1HPGDMAPTSMN1; SMN2DHFR |
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-1140938-B1 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | UNIV PRINCETON (US) | 2003-08-27 | — | — | EP | disclosed |
| EP-1140938-A2 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | Princeton University (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000042042-A2 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | PRINCETON UNIVERSITY (US) | 2000-07-20 | — | — | WO | disclosed |