Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 3/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL6983887 | 0.80 | HTT (0.53) | ALDH1A1TSHRLMNASMN1; SMN2KDM4E | |
| SCHEMBL1040305 | 0.78 | HCRTR2 (0.64) | ALDH1A1KEAP1NFE2L2HCRTR2 | |
| SCHEMBL7423210 | 0.77 | ALDH1A1 (0.55) | ALDH1A1USP2MAPK1NR1I2TSHR | |
| SCHEMBL1038672 | 0.77 | HCRTR2 (0.55) | ALDH1A1KEAP1NFE2L2HCRTR2 | |
| SCHEMBL1039268 | 0.77 | KEAP1 (0.55) | KEAP1NFE2L2HCRTR2 | |
| SCHEMBL7956823 | 0.75 | NR1I2 (0.55) | ALDH1A1NR1I2SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL1040980 | 0.75 | HCRTR2 (0.57) | ALDH1A1KEAP1NFE2L2HCRTR2 | |
| SCHEMBL1040995 | 0.75 | HCRTR2 (0.48) | KEAP1NFE2L2HCRTR2 | |
| SCHEMBL6984894 | 0.74 | L3MBTL1 (0.56) | ALDH1A1NR1I2LMNASMN1; SMN2RAB9A | |
| SCHEMBL27849029 | 0.74 | HPGD (0.72) | USP2LMNAHPGDHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0991624-B1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-11-19 | — | — | EP | disclosed |
| US-6300342-B1 | FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION | BOEHRINGER INGELHEIM PHARM KG (DE) | 2001-10-09 | — | — | US | disclosed |