Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HHAT | Q5VTY9 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9509175 | 0.90 | NOTUM (0.40) | HHATCYP2D6NOTUMTRPV1ATM | |
| SCHEMBL9509161 | 0.78 | HHAT (0.61) | HHATCYP2D6 | |
| SCHEMBL9508210 | 0.74 | NOTUM (0.43) | NOTUMALDH1A1HTT | |
| SCHEMBL9508465 | 0.73 | NOTUM (0.40) | HHATNOTUMALDH1A1LMNAHTT | |
| SCHEMBL9511217 | 0.69 | OPRD1 (0.42) | NOTUMALDH1A1LMNAHTT | |
| SCHEMBL9508172 | 0.68 | DRD1 (0.57) | HHATCYP2D6NPC1NPSR1 | |
| SCHEMBL9508456 | 0.67 | HHAT (0.57) | HHATCYP2D6 | |
| Iodide SCHEMBL27324981 | 0.65 | MAPT (0.44) | LMNA | |
| SCHEMBL11188809 | 0.64 | SMN1; SMN2 (0.50) | ALDH1A1 | |
| SCHEMBL12153444 | 0.64 | HHAT (0.57) | HHATCYP2D6TRPV1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0230871-B1 | HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES | Monsanto Company (US) | 1993-09-22 | — | — | EP | claimed |
| EP-0230871-A2 | Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes | Monsanto Company (US) | 1987-08-05 | — | — | EP | claimed |
| EP-0230871-B1 | HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES | Monsanto Company (US) | 1993-09-22 | — | — | EP | disclosed |
| US-4755218-A | Reducing acetochlor injury to corn by applying with antidote | MONSANTO COMPANY (US) | 1988-07-05 | — | — | US | disclosed |
| EP-0230871-A2 | Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes | Monsanto Company (US) | 1987-08-05 | — | — | EP | disclosed |