Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | FPR1 | P21462 | 2/20 | 0.39 |
| ▸ | FPR2 | P25090 | 2/20 | 0.39 |
| ▸ | AVPR2 | P30518 | 2/20 | 0.38 |
| ▸ | OXTR | P30559 | 2/20 | 0.38 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6979364 | 0.99 | ALDH1A1 (0.41) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6979727 | 0.84 | TSHR (0.40) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6985487 | 0.82 | TP53 (0.41) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6979462 | 0.81 | MAPT (0.58) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6978707 | 0.81 | MAPT (0.58) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6979360 | 0.80 | TP53 (0.42) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6981829 | 0.80 | POLB (0.39) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6986437 | 0.79 | PTGER4 (0.41) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6983751 | 0.78 | NR3C1 (0.40) | ALDH1A1TSHRUSP2MEN1HPGD | |
| SCHEMBL6977399 | 0.78 | PTGER4 (0.42) | ALDH1A1TSHRUSP2MEN1HPGD |
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 3 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 |
| EP-0991624-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999000371-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-01-07 | — | — | WO | disclosed |