Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | AHR | P35869 | 2/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 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 | |
|---|---|---|---|---|
| SCHEMBL16955449 | 0.92 | NQO1 (0.50) | ESR1AHRNQO1ALDH1A1MAPT | |
| SCHEMBL16954078 | 0.85 | ALDH1A1 (0.58) | ESR1AHRALDH1A1ABL1ABCB1 | |
| SCHEMBL16958467 | 0.84 | AHR (0.55) | ESR1AHRALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL13074291 | 0.83 | ALDH1A1 (0.61) | ESR1AHRNQO1ALDH1A1CALM1 | |
| SCHEMBL13485083 | 0.83 | ALDH1A1 (0.61) | ESR1AHRNQO1ALDH1A1CALM1 | |
| SCHEMBL16951211 | 0.83 | NQO1 (0.41) | ESR1AHRNQO1ALDH1A1MAPT | |
| SCHEMBL16953265 | 0.81 | NQO1 (0.45) | AHRNQO1ALDH1A1TSHRTDP1 | |
| SCHEMBL16951572 | 0.81 | NQO1 (0.43) | NQO1TSHRTDP1KAT6A | |
| SCHEMBL16961875 | 0.80 | NQO1 (0.39) | ESR1AHRNQO1ALDH1A1MAPT | |
| SCHEMBL16955171 | 0.80 | HPGD (0.42) | ALDH1A1MAPTGAATSHRKDM4E |
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 |