Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 10/20 | 0.66 |
| ▸ | NPC1 | O15118 | 9/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.66 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.66 |
| ▸ | RELA | Q04206 | 4/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | TP53 | P04637 | 2/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | PLAU | P00749 | 1/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | PIR | O00625 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.53 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.52 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4716893 | 0.92 | RAB9A (0.61) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL30847429 | 0.92 | RAB9A (0.61) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL691153 | 0.84 | MAPT (0.60) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL4423365 | 0.82 | SMN1; SMN2 (0.56) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL21499352 | 0.81 | PLAU (0.58) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL6981447 | 0.81 | NPC1 (0.68) | RAB9ANPC1SMN1; SMN2GAAPLAU | |
| SCHEMBL5053574 | 0.80 | PLAU (0.56) | RAB9ANPC1HTTTP53GAA | |
| SCHEMBL30464664 | 0.80 | PLAU (0.56) | RAB9ANPC1HTTTP53GAA | |
| SCHEMBL10365448 | 0.80 | MAP4K1 (0.65) | RAB9ANPC1NFKB1NFKB2RELA | |
| SCHEMBL31139986 | 0.79 | PLAU (0.53) | RAB9ANPC1NFKB1NFKB2RELA |
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 |