Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.65 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.65 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16605626 | 1.00 | TAAR1 (0.65) | TAAR1ESR2CYP11B2ACHECYP17A1 | |
| SCHEMBL16605628 | 1.00 | TAAR1 (0.65) | TAAR1ESR2CYP11B2ACHECYP17A1 | |
| SCHEMBL198702 | 0.97 | TAAR1 (0.68) | TAAR1ESR2CYP11B2ACHECYP17A1 | |
| SCHEMBL27652491 | 0.92 | TAAR1 (0.64) | TAAR1ESR2CYP11B2CYP17A1CYP3A4 | |
| SCHEMBL30704326 | 0.92 | TAAR1 (0.64) | TAAR1ESR2CYP11B2CYP17A1CYP3A4 | |
| SCHEMBL28102063 | 0.89 | TAAR1 (0.61) | TAAR1ESR2CYP11B2CYP17A1CYP3A4 | |
| Biphenyl SCHEMBL25183774 | 0.88 | TAAR1 (0.67) | TAAR1ESR2CYP11B2ACHECYP17A1 | |
| SCHEMBL200605 | 0.88 | TAAR1 (0.67) | TAAR1ESR2CYP11B2ACHECYP17A1 | |
| SCHEMBL17082215 | 0.88 | TAAR1 (0.60) | TAAR1ESR2CYP11B2ACHECYP17A1 | |
| SCHEMBL29451178 | 0.88 | TAAR1 (0.67) | TAAR1ESR2CYP11B2ACHECYP17A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114621045-A | Method for synthesizing polyaromatic hydrocarbon from aryl formaldehyde | 长沙资材科技有限公司 | 2022-06-14 | — | — | CN | disclosed |