Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | DPP4 | P27487 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LOX | P28300 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6985246 | 0.83 | TP53 (0.51) | TP53PDK2NPC1RAB9AHDAC1 | |
| SCHEMBL6985146 | 0.83 | AVPR2 (0.40) | AVPR2NPC1RAB9ADPP4LOX | |
| SCHEMBL7410530 | 0.81 | TP53 (0.45) | TP53PDK2HDAC1HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL6984559 | 0.80 | ALDH1A1 (0.47) | AVPR2ALDH1A1SMN1; SMN2 | |
| SCHEMBL6981826 | 0.80 | PDK1 (0.52) | AVPR2TP53PDK2HDAC1HDAC8 | |
| SCHEMBL6985351 | 0.79 | ALDH1A1 (0.54) | TP53PDK2HDAC1HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL6979845 | 0.78 | ALDH1A1 (0.44) | AVPR2ALDH1A1SMN1; SMN2 | |
| SCHEMBL6987041 | 0.77 | CDK1 (0.45) | TP53PDK2HDAC1HDAC8HDAC6 | |
| SCHEMBL6986538 | 0.76 | TP53 (0.49) | AVPR2TP53PDK2NPC1RAB9A | |
| SCHEMBL6979174 | 0.76 | TP53 (0.50) | TP53DPP4HDAC1HDAC8HDAC6 |
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 |