Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | P4HB | P07237 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6985371 | 0.84 | NR3C1 (0.44) | ALDH1A1LMNAGAANR3C1AR | |
| SCHEMBL6984550 | 0.82 | NR3C1 (0.56) | ALDH1A1MEN1KMT2ARAB9ALMNA | |
| SCHEMBL6984553 | 0.82 | NR3C1 (0.56) | ALDH1A1MEN1KMT2ARAB9ALMNA | |
| SCHEMBL6983048 | 0.80 | NAMPT (0.41) | ALDH1A1MEN1KMT2ALMNANR3C1 | |
| SCHEMBL6985322 | 0.80 | GAA (0.41) | ALDH1A1MEN1KMT2ARAB9ALMNA | |
| SCHEMBL6980541 | 0.80 | HSD17B10 (0.48) | ALDH1A1MEN1KMT2ARAB9ALMNA | |
| SCHEMBL6982980 | 0.78 | PKM (0.39) | ALDH1A1MEN1KMT2ALMNAHPGD | |
| SCHEMBL7406048 | 0.78 | EEF2K (0.39) | ALDH1A1MEN1KMT2ALMNAHPGD | |
| SCHEMBL6981761 | 0.78 | LIMK2 (0.40) | ALDH1A1MEN1KMT2ALMNAHPGD | |
| SCHEMBL6976883 | 0.78 | NR3C1 (0.38) | ALDH1A1MEN1KMT2ARAB9ALMNA |
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 |