Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | CCNC | P24863 | 1/20 | 0.31 |
| ▸ | CDK8 | P49336 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2215169 | 0.80 | CYP1A2 (0.46) | CYP1A2CYP2C19PKM | |
| Hydrochloric Acid SCHEMBL653317 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2C19PKM | |
| SCHEMBL20786872 | 0.76 | NR1H2 (0.35) | CYP1A2CYP2C19CCNCCDK8PKM | |
| SCHEMBL5121029 | 0.76 | RAB9A (0.49) | CYP1A2 | |
| SCHEMBL31469842 | 0.74 | ALDH1A1 (0.44) | — | |
| SCHEMBL13527129 | 0.74 | CCNC (0.51) | CCNCCDK8PKM | |
| SCHEMBL10110884 | 0.74 | CCNC (0.36) | CCNCCDK8PKM | |
| SCHEMBL781811 | 0.74 | TDP1 (0.45) | CYP2C19CCNCCDK8PKM | |
| Hydrochloric Acid SCHEMBL17781591 | 0.72 | CCNC (0.50) | CCNCCDK8PKM | |
| Hydrochloric Acid SCHEMBL7049628 | 0.72 | TDP1 (0.44) | CYP2C19CCNCCDK8PKM |
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 |
|---|---|---|---|---|---|---|---|
| US-5510319-A | PYRROLO-2,3-B-PYRIDINYL DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1996-04-23 | — | — | US | disclosed |