Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3044017 | 0.76 | HIF1A (0.48) | CYP2C9CYP1A2MAPK1HIF1ACALM1 | |
| SCHEMBL305339 | 0.70 | CALM1 (0.52) | CYP2C9CYP1A2MAPK1HIF1ACALM1 | |
| SCHEMBL27623517 | 0.70 | MAOA (0.57) | CYP2C9CYP1A2MAPK1HIF1ACALM1 | |
| SCHEMBL3040732 | 0.68 | TBXAS1 (0.50) | CYP2C9CYP1A2MAPK1HIF1ACALM1 | |
| Diphenylmethane SCHEMBL4361124 | 0.66 | CALM1 (1.00) | CALM1ALDH1A1HPGDMAOBIDO1 | |
| Diphenylmethane SCHEMBL3792579 | 0.66 | CALM1 (1.00) | CALM1ALDH1A1HPGDMAOBIDO1 | |
| Diphenylmethane SCHEMBL14763944 | 0.66 | CALM1 (1.00) | CALM1ALDH1A1HPGDMAOBIDO1 | |
| Diphenylmethane SCHEMBL28172316 | 0.66 | CALM1 (1.00) | CALM1ALDH1A1HPGDMAOBIDO1 | |
| Diphenylmethane SCHEMBL1303 | 0.66 | CALM1 (1.00) | CALM1ALDH1A1HPGDMAOBIDO1 | |
| SCHEMBL7912380 | 0.65 | TBXAS1 (0.69) | CYP2C9CYP1A2MAPK1HIF1ASMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114685329-B | P-type thermoelectric material and preparation method thereof | 中国科学院化学研究所 | 2022-12-06 | — | — | CN | claimed |
| CN-114685329-A | P-type thermoelectric material and preparation method thereof | 中国科学院化学研究所 | 2022-07-01 | — | — | CN | claimed |
| CN-114685329-B | P-type thermoelectric material and preparation method thereof | 中国科学院化学研究所 | 2022-12-06 | — | — | CN | disclosed |
| CN-114685329-B | P-type thermoelectric material and preparation method thereof | 中国科学院化学研究所 | 2022-12-06 | — | — | CN | disclosed |
| CN-114685329-A | P-type thermoelectric material and preparation method thereof | 中国科学院化学研究所 | 2022-07-01 | — | — | CN | disclosed |
| CN-114685329-A | P-type thermoelectric material and preparation method thereof | 中国科学院化学研究所 | 2022-07-01 | — | — | CN | disclosed |