Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | FPR1 | P21462 | 2/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | EP300 | Q09472 | 2/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | YAP1 | P46937 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6981983 | 0.85 | RAB9A (0.46) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6976282 | 0.83 | TP53 (0.44) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6976631 | 0.81 | HSD17B3 (0.46) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6985397 | 0.81 | CA12 (0.42) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6983653 | 0.81 | FPR1 (0.44) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6985377 | 0.80 | RAB9A (0.62) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6984731 | 0.80 | TP53 (0.45) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6986432 | 0.78 | TP53 (0.48) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6986003 | 0.78 | RAB9A (0.48) | ALDH1A1RAB9AFPR1FPR2TP53 | |
| SCHEMBL6984804 | 0.78 | KCNH2 (0.45) | ALDH1A1FPR1FPR2TP53IDO1 |
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 |