Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | FOS | P01100 | 1/20 | 0.43 |
| ▸ | JUN | P05412 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17469335 | 0.88 | TRPA1 (0.48) | BCHEMAOBRELACYP1A1CYP1A2 | |
| SCHEMBL17469313 | 0.86 | TTR (0.42) | NFE2L2ALDH1A1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL17469397 | 0.83 | ALDH1A1 (0.42) | MAOBRELAALDH1A1KMT2AMAPT | |
| SCHEMBL17469314 | 0.82 | RELA (0.42) | NFE2L2RELAERN1CYP1B1 | |
| SCHEMBL17469392 | 0.80 | CYP1B1 (0.42) | NFE2L2CYP1A2CYP1B1MMP1MMP2 | |
| SCHEMBL17459513 | 0.80 | TRPA1 (0.49) | BCHEMAOBRELACYP1A1CYP1A2 | |
| SCHEMBL17459512 | 0.80 | TRPA1 (0.49) | BCHEMAOBRELACYP1A1CYP1A2 | |
| SCHEMBL17469356 | 0.78 | BCL2L1 (0.38) | NFE2L2KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL17469387 | 0.78 | RAB9A (0.45) | NFE2L2CYP1A2MEN1ALDH1A1KMT2A | |
| SCHEMBL17459521 | 0.77 | BCL2L1 (0.46) | NFE2L2ALDH1A1KMT2AMAPTSMN1; 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 |