Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.32 |
| ▸ | CNR2 | P34972 | 2/20 | 0.32 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4462684 | 0.84 | TSHR (0.57) | CYP3A4TDP1TSHRIDO1TPMT | |
| SCHEMBL9854467 | 0.83 | TDP1 (0.57) | CYP3A4TDP1ESR1ESR2TSHR | |
| 1,4-Dichlorobenzene SCHEMBL11803922 | 0.81 | CYP3A4 (0.71) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL28277953 | 0.81 | TDP1 (0.80) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL8773581 | 0.79 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2TSHR | |
| Chlorobenzene SCHEMBL7171696 | 0.79 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL2454269 | 0.79 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL9547185 | 0.78 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL28902461 | 0.78 | CYP3A4 (0.75) | CYP3A4TDP1ESR1ESR2TSHR | |
| SCHEMBL9420677 | 0.78 | TDP1 (0.86) | CYP3A4TDP1ESR1ESR2TSHR |
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-5066781-A | Reduced crystallization times | BAYER AKTIENGESELLSCHAFT (DE) | 1991-11-19 | — | — | US | disclosed |
| US-5010169-A | Low melting point; electronics | BAYER AKTIENGESELLSCHAFT (DE) | 1991-04-23 | — | — | US | disclosed |