Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.40 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.40 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL17469313 | 0.83 | TTR (0.42) | PTPN1PTPN6GLARAB9AKMT2A | |
| SCHEMBL17469392 | 0.80 | CYP1B1 (0.42) | GLARAB9AALDH1A1LMNATTR | |
| SCHEMBL17469356 | 0.78 | BCL2L1 (0.38) | GLAKDM4ELMNATTRALOX5 | |
| SCHEMBL17469314 | 0.77 | RELA (0.42) | ERN1TTRALOX5PTGS1PTGS2 | |
| SCHEMBL17469394 | 0.76 | BCHE (0.46) | ERN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL17469358 | 0.76 | TNFRSF1A (0.42) | ERN1RAB9AKMT2ANPSR1ALDH1A1 | |
| SCHEMBL17469335 | 0.76 | TRPA1 (0.48) | KMT2AALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL17469397 | 0.76 | ALDH1A1 (0.42) | RAB9AKMT2AALDH1A1LMNATTR | |
| SCHEMBL17459521 | 0.73 | BCL2L1 (0.46) | PTPN1PTPN6GLARAB9AKMT2A | |
| SCHEMBL17459520 | 0.73 | BCL2L1 (0.46) | PTPN1PTPN6GLARAB9AKMT2A |
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 |