Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPOX | P50336 | 1/20 | 0.60 |
| ▸ | GSK3B | P49841 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 8/20 | 0.48 |
| ▸ | MAOB | P27338 | 8/20 | 0.48 |
| ▸ | GRM5 | P41594 | 3/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | CASP2 | P42575 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.46 |
| ▸ | TDP2 | O95551 | 5/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8319902 | 1.00 | PPOX (0.60) | PPOXGSK3BCYP3A4TDP1MAOA | |
| SCHEMBL3957509 | 0.90 | PPOX (0.56) | PPOXGSK3BCYP3A4TDP1MAOA | |
| SCHEMBL1276074 | 0.89 | TDP2 (0.61) | PPOXGSK3BCYP3A4TDP1MAOA | |
| SCHEMBL6848460 | 0.87 | PPOX (0.48) | PPOXGSK3BCYP3A4TDP1MAOA | |
| SCHEMBL16521551 | 0.87 | PPOX (0.48) | PPOXGSK3BCYP3A4TDP1MAOA | |
| SCHEMBL19047110 | 0.84 | ALDH1A1 (0.49) | PPOXGSK3BCYP3A4TDP1MAOA | |
| SCHEMBL23601550 | 0.82 | FYN (0.58) | PPOXGSK3BMAOAMAOBTDP2 | |
| SCHEMBL19011464 | 0.80 | KMT2A (0.49) | PPOXTDP2 | |
| SCHEMBL10947949 | 0.80 | PPOX (0.50) | PPOXGSK3BCYP3A4TDP1MAOA | |
| SCHEMBL24721730 | 0.78 | RXRA (0.50) | PPOXGSK3BCYP3A4TDP1MAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5563273-A | COLOR CHANGE AGENT | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1996-10-08 | — | — | US | claimed |
| US-5563273-A | COLOR CHANGE AGENT | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 1996-10-08 | — | — | US | disclosed |