Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10987547 | 0.89 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19POLB | |
| SCHEMBL10674513 | 0.86 | KMT2A (0.41) | CYP3A4POLBMEN1KMT2ANPSR1 | |
| SCHEMBL10989724 | 0.83 | CYP1A2 (0.43) | CYP1A2CYP3A4CYP2D6CYP2C19POLB | |
| SCHEMBL10986512 | 0.82 | POLQ (0.40) | CYP1A2CYP3A4CYP2D6CYP2C19POLB | |
| SCHEMBL10990434 | 0.81 | MEN1 (0.39) | MEN1KMT2ANPC1RAB9ANPSR1 | |
| SCHEMBL10672451 | 0.81 | MEN1 (0.36) | CYP1A2CYP3A4CYP2D6CYP2C19POLB | |
| SCHEMBL10985003 | 0.80 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CYP2C19POLB | |
| SCHEMBL11248160 | 0.79 | KMT2A (0.41) | MEN1KMT2AMAPT | |
| SCHEMBL10990810 | 0.77 | KMT2A (0.46) | MEN1KMT2APKMALDH1A1 | |
| SCHEMBL10981993 | 0.76 | MEN1 (0.44) | POLBMEN1KMT2ANPC1ALDH1A1 |
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-4561879-A | Composition and method for combating weeds using an N-imidazolylmethyl halogenoacetanilide | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-31 | — | — | US | disclosed |
| US-4517011-A | N-substituted halogenoacetanilides and their use as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1985-05-14 | — | — | US | disclosed |