Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.45 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.45 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17459512 | 0.91 | TRPA1 (0.49) | TRPA1CYP1B1CYP1A1CYP1A2MEN1 | |
| SCHEMBL17459513 | 0.91 | TRPA1 (0.49) | TRPA1CYP1B1CYP1A1CYP1A2MEN1 | |
| SCHEMBL17469313 | 0.88 | TTR (0.42) | TRPA1ALDH1A1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL17469394 | 0.88 | BCHE (0.46) | CYP1B1CYP1A1CYP1A2MEN1ALDH1A1 | |
| SCHEMBL17469392 | 0.87 | CYP1B1 (0.42) | CYP1B1CYP1A2ALDH1A1MAPTCYP3A4 | |
| SCHEMBL17469388 | 0.86 | POLB (0.46) | TRPA1CYP1B1CYP1A1CYP1A2MEN1 | |
| SCHEMBL17469356 | 0.85 | BCL2L1 (0.38) | TRPA1MAPTKDM4ESMN1; SMN2LMNA | |
| SCHEMBL17469314 | 0.84 | RELA (0.42) | CYP1B1RELA | |
| SCHEMBL17469387 | 0.80 | RAB9A (0.45) | TRPA1CYP1A2MEN1ALDH1A1MAPT | |
| SCHEMBL17459520 | 0.79 | BCL2L1 (0.46) | TRPA1ALDH1A1MAPTKMT2ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016013976-A1 | METHOD OF FORMING A MULTI-SUBSTITUTED BENZENE COMPOUND | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-01-28 | — | — | WO | disclosed |