Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.45 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15962587 | 0.81 | ACACB (0.41) | PPARDOPRL1ALDH1A1ACACB | |
| SCHEMBL16957258 | 0.81 | CHRNB2 (0.43) | NQO1CHRNB2CHRNA4TP53CYP3A4 | |
| SCHEMBL6872023 | 0.79 | PROKR1 (0.44) | CHRNB2CHRNA4OPRL1MEN1KMT2A | |
| SCHEMBL9398651 | 0.79 | ACACB (0.46) | OPRL1BRD4ACACB | |
| SCHEMBL31225273 | 0.78 | CHRNB2 (0.42) | NQO1CHRNB2CHRNA4TP53CYP3A4 | |
| SCHEMBL16952301 | 0.78 | KDM4E (0.43) | NQO1CHRNB2CHRNA4TP53CYP3A4 | |
| SCHEMBL15716122 | 0.78 | TP53 (0.42) | NQO1CHRNB2CHRNA4TP53CYP3A4 | |
| SCHEMBL16957550 | 0.78 | CHRNB2 (0.42) | NQO1CHRNB2CHRNA4TP53CYP3A4 | |
| SCHEMBL31225150 | 0.78 | CHRNB2 (0.42) | NQO1CHRNB2CHRNA4TP53CYP3A4 | |
| SCHEMBL9399172 | 0.78 | OPRL1 (0.43) | PPARDOPRL1TSHRACACB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2900645-A1 | 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION | Bayer CropScience AG (DE) | 2015-08-05 | — | — | EP | disclosed |