Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TNKS | O95271 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TDP2 | O95551 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3722032 | 0.87 | KMO (0.58) | HPGDMEN1KMT2ATNKSPARP1 | |
| SCHEMBL3728008 | 0.86 | AOC3 (0.57) | ALDH1A1HSD17B10KDM4ETNKSPARP1 | |
| SCHEMBL30290422 | 0.84 | GAA (0.72) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL1397690 | 0.84 | GAA (0.72) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| Hydrochloric Acid SCHEMBL4630423 | 0.83 | GAA (0.70) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL1397363 | 0.82 | GAA (0.74) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL1397421 | 0.79 | NPC1 (0.61) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL4767629 | 0.79 | NPC1 (0.61) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL4873981 | 0.79 | NPC1 (0.61) | ALDH1A1HPGDHSD17B10GAAKDM4E | |
| SCHEMBL6999225 | 0.79 | DHODH (0.63) | HSD17B10PARP1MAPTTSHRTDP2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | claimed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | claimed |
| US-8614201-B2 | Heterocyclic amides as modulators of TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2013-12-24 | — | — | US | disclosed |
| WO-2010141805-A1 | HETEROCYCLIC AMIDES AS MODULATORS OF TRPA1 | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-09 | — | — | WO | disclosed |