Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.40 |
| ▸ | HTR3B | O95264 | 3/20 | 0.40 |
| ▸ | HTR3A | P46098 | 3/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11458312 | 0.81 | IDO1 (0.34) | IDO1TSHR | |
| SCHEMBL6679797 | 0.78 | PNMT (0.61) | PNMTTAAR1CHRM2CYP3A4IDO1 | |
| SCHEMBL13302617 | 0.75 | PNMT (0.62) | PNMTTAAR1CHRM2CYP3A4IDO1 | |
| SCHEMBL6685017 | 0.75 | PNMT (0.58) | PNMTTAAR1CHRM2CYP3A4IDO1 | |
| SCHEMBL11565773 | 0.74 | PNMT (0.51) | PNMTTAAR1CHRM2CYP3A4IDO1 | |
| SCHEMBL9828214 | 0.73 | PNMT (0.60) | PNMTTAAR1CHRM2CYP3A4IDO1 | |
| SCHEMBL1570139 | 0.73 | PNMT (0.71) | PNMTTAAR1CHRM2CYP3A4IDO1 | |
| SCHEMBL10651111 | 0.73 | PNMT (0.60) | PNMTTAAR1CHRM2CYP3A4IDO1 | |
| SCHEMBL3335737 | 0.73 | PNMT (0.60) | PNMTTAAR1CHRM2CYP3A4IDO1 | |
| SCHEMBL6985125 | 0.72 | PNMT (0.56) | PNMTTAAR1CHRM2CYP3A4IDO1 |
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-4205015-A | Dehydrohalogenation of (polyhaloalkyl) benzenes with support Lewis acid catalysts | THE DOW CHEMICAL COMPANY (US) | 1980-05-27 | — | — | US | disclosed |
| US-4188346-A | Dehydrohalogenation of (polyhaloalkyl)benzenes | THE DOW CHEMICAL COMPANY (US) | 1980-02-12 | — | — | US | disclosed |