Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 7/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17469313 | 0.83 | TTR (0.42) | MAPTKMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL17469392 | 0.80 | CYP1B1 (0.42) | MAPTNPC1ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL17469356 | 0.78 | BCL2L1 (0.38) | MAPTKDM4ESMN1; SMN2LMNA | |
| SCHEMBL17469314 | 0.77 | RELA (0.42) | ERN1 | |
| SCHEMBL17469357 | 0.76 | ERN1 (0.40) | ERN1MAPTKMT2AKDM4ENPC1 | |
| SCHEMBL17469335 | 0.76 | TRPA1 (0.48) | TNFRSF1AHDAC2MAPTMEN1TP53 | |
| SCHEMBL17469397 | 0.76 | ALDH1A1 (0.42) | MAPTKMT2AALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL3756657 | 0.75 | PTPN1 (0.50) | HDAC2ERN1MAPTMEN1KMT2A | |
| SCHEMBL17469394 | 0.74 | BCHE (0.46) | ERN1MAPTMEN1TP53KMT2A | |
| SCHEMBL17459520 | 0.73 | BCL2L1 (0.46) | MAPTKMT2AALDH1A1RAB9ASMN1; 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 |