Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCNB3 | Q8WWL7 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL454730 | 0.93 | CYP3A4 (0.47) | CYP3A4ESR1ESR2DRD2DRD4 | |
| Phenol SCHEMBL28088385 | 0.93 | CYP3A4 (0.47) | CYP3A4ESR1ESR2DRD2DRD4 | |
| Phenol SCHEMBL359808 | 0.93 | CYP3A4 (0.47) | CYP3A4ESR1ESR2DRD2DRD4 | |
| SCHEMBL320511 | 0.91 | CYP3A4 (0.52) | CYP3A4ESR1ESR2DRD2DRD4 | |
| Methane SCHEMBL27756372 | 0.89 | CYP3A4 (0.50) | CYP3A4ESR1ESR2DRD2DRD4 | |
| Resorcinol SCHEMBL1715185 | 0.89 | CYP3A4 (0.50) | CYP3A4ESR1ESR2DRD2DRD4 | |
| SCHEMBL4463825 | 0.89 | CYP3A4 (0.50) | CYP3A4ESR1ESR2DRD2DRD4 | |
| Charcoal, Activated SCHEMBL3483629 | 0.89 | CYP3A4 (0.50) | CYP3A4ESR1ESR2DRD2DRD4 | |
| SCHEMBL28073121 | 0.89 | CYP3A4 (0.50) | CYP3A4ESR1ESR2DRD2DRD4 | |
| SCHEMBL28290002 | 0.89 | CYP3A4 (0.50) | CYP3A4ESR1ESR2DRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1098428-A | The China ink that is used for ink-jet printing | CIBA GEIGY AG (CH) | 1995-02-08 | — | — | CN | disclosed |
| CN-1026592-C | Ink for ink jet printing | CIBA GEIGY AG (CH) | 1994-11-16 | — | — | CN | disclosed |
| CN-1043517-A | Ink for ink jet printing | CIBA GEIGY AG (CH) | 1990-07-04 | — | — | CN | disclosed |