Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 11/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7410530 | 0.90 | TP53 (0.45) | ALDH1A1TP53KDM1AHDAC1HDAC8 | |
| SCHEMBL6981826 | 0.87 | PDK1 (0.52) | ALDH1A1TP53KDM1AHDAC1HDAC8 | |
| Hydrochloric Acid SCHEMBL7958653 | 0.87 | F2 (0.42) | ALDH1A1PDK1PDK2PDK3PDK4 | |
| SCHEMBL6987041 | 0.84 | CDK1 (0.45) | ALDH1A1TP53HDAC1HDAC8HDAC6 | |
| SCHEMBL6985353 | 0.81 | ALDH1A1 (0.46) | ALDH1A1 | |
| SCHEMBL6985246 | 0.81 | TP53 (0.51) | ALDH1A1TP53HDAC1HDAC8HDAC6 | |
| SCHEMBL7948815 | 0.81 | TP53 (0.42) | ALDH1A1TP53HDAC1HDAC8HDAC6 | |
| SCHEMBL6986538 | 0.80 | TP53 (0.49) | ALDH1A1TP53HDAC1HDAC8HDAC6 | |
| SCHEMBL6977395 | 0.79 | TP53 (0.46) | ALDH1A1TP53HDAC1HDAC8HDAC6 | |
| SCHEMBL6985141 | 0.79 | AVPR2 (0.47) | ALDH1A1TP53KDM1AHDAC1HDAC8 |
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 |