Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13034079 | 0.93 | CYP19A1 (0.43) | CYP19A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL938461 | 0.93 | CYP19A1 (0.43) | CYP19A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL16714026 | 0.93 | CYP19A1 (0.43) | CYP19A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL11693248 | 0.91 | CYP19A1 (0.42) | CYP19A1CHRM2CHRM1MEN1CYP2D6 | |
| Bicarbonate SCHEMBL14812099 | 0.89 | CYP19A1 (0.41) | CYP19A1CHRM2CHRM1MEN1CYP2D6 | |
| SCHEMBL177205 | 0.83 | — | — | |
| SCHEMBL12476221 | 0.83 | CHRM2 (0.42) | CHRM2CHRM1MEN1CYP2D6KMT2A | |
| SCHEMBL12158777 | 0.83 | CHRM2 (0.37) | CHRM2CHRM1MEN1CYP2D6KMT2A | |
| Ammonia Solution, Strong SCHEMBL28770241 | 0.81 | — | — | |
| SCHEMBL28780475 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021054365-A1 | LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT | 日産化学株式会社 | 2021-03-25 | — | — | WO | disclosed |
| EP-1618101-B1 | BENZOCHROMENE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-12-20 | — | — | EP | disclosed |
| US-8426626-B2 | Compound having asymmetric carbon atom, oxidation-reduction reaction causing portion, and liquid crystal substituent | FUJIFILM CORPORATION (JP) | 2013-04-23 | — | — | US | disclosed |