Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SLC16A3 | O15427 | 2/20 | 0.35 |
| ▸ | SLC16A1 | P53985 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | PRMT5 | O14744 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7378366 | 0.93 | MAPT (0.37) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| SCHEMBL7378005 | 0.88 | KLK5 (0.42) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL7373824 | 0.87 | KLK5 (0.42) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL7379211 | 0.87 | RXRA (0.44) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| SCHEMBL7372469 | 0.80 | KLK1 (0.46) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| SCHEMBL7379565 | 0.75 | KLK1 (0.44) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| SCHEMBL7379560 | 0.74 | KLK1 (0.38) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| Hydrochloric Acid SCHEMBL7380734 | 0.74 | KLK1 (0.37) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| SCHEMBL7394949 | 0.73 | ALDH1A1 (0.43) | ALDH1A1MAPK1NPC1LMNAMAPT | |
| SCHEMBL7379316 | 0.72 | KDM4E (0.39) | ALDH1A1MAPTTGFBR1KDM4EHPGD |
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-2000050419-A1 | SUBSTITUTED BICYCLIC HETEROCYCLES AND THE USE THEREOF AS THROMBIN INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-08-31 | — | — | WO | disclosed |