Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | DRD2 | P14416 | 5/20 | 0.46 |
| ▸ | DRD4 | P21917 | 5/20 | 0.46 |
| ▸ | DRD3 | P35462 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL5879928 | 0.92 | SIGMAR1 (0.57) | SIGMAR1DRD2DRD4DRD3TSHR | |
| Toluene SCHEMBL19468536 | 0.90 | SIGMAR1 (0.55) | SIGMAR1DRD2DRD4DRD3TSHR | |
| Toluene SCHEMBL11599703 | 0.88 | SIGMAR1 (0.53) | SIGMAR1DRD2DRD4DRD3TSHR | |
| Trientine SCHEMBL10822912 | 0.88 | LMNA (0.50) | SIGMAR1DRD2DRD4DRD3TSHR | |
| Toluene SCHEMBL1989071 | 0.81 | TSHR (0.52) | TSHRLMNAALOX12ACHETLR8 | |
| Toluene SCHEMBL21981119 | 0.81 | TSHR (0.52) | TSHRLMNAALOX12ACHETLR8 | |
| Toluene SCHEMBL27578135 | 0.79 | TSHR (0.50) | TSHRLMNAALOX12ACHETLR8 | |
| Toluene SCHEMBL9480148 | 0.79 | DNM1 (0.52) | TSHRLMNAALOX12ACHETLR8 | |
| Toluene SCHEMBL8519058 | 0.79 | TSHR (0.50) | TSHRLMNAALOX12ACHETLR8 | |
| Toluene SCHEMBL28210504 | 0.79 | TSHR (0.50) | TSHRLMNAALOX12ACHETLR8 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108003076-B | A method of preparing 2- (rosickyite base) -3- (trifluoromethyl) phenol in micro-structured reactor | 淮安国瑞化工有限公司 | 2019-03-05 | — | — | CN | disclosed |
| CN-108003076-A | One kind prepares 2- in micro-structured reactor（Rosickyite base）-3-（Trifluoromethyl）The method of phenol | 淮安国瑞化工有限公司 | 2018-05-08 | — | — | CN | disclosed |