Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | PGR | P06401 | 6/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ACLY | P53396 | 1/20 | 0.42 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982220 | 0.88 | ALDH1A1 (0.64) | SLC40A1LMNAKDM4EALDH1A1GAA | |
| SCHEMBL6984823 | 0.86 | HTR6 (0.48) | SLC40A1LMNAKDM4EALDH1A1GAA | |
| SCHEMBL6974140 | 0.85 | WDR5 (0.45) | LMNAKDM4EALDH1A1GAAHTT | |
| SCHEMBL6976544 | 0.82 | MEN1 (0.53) | LMNAALDH1A1HTTHTR2CHTR2B | |
| SCHEMBL6985112 | 0.80 | ALDH1A1 (0.64) | SLC40A1LMNAKDM4EALDH1A1GAA | |
| SCHEMBL6985321 | 0.80 | ALDH1A1 (0.48) | LMNAKDM4EALDH1A1GAAHTT | |
| SCHEMBL6986762 | 0.80 | ALDH1A1 (0.53) | LMNAKDM4EALDH1A1GAAHTT | |
| SCHEMBL6983859 | 0.77 | PKM (0.56) | LMNAPGRTP53PKMMAPT | |
| SCHEMBL6983098 | 0.73 | HCRTR1 (0.43) | LMNAALDH1A1GAAPGRACLY | |
| SCHEMBL10959038 | 0.72 | PKM (0.58) | LMNAALDH1A1PGRHTR2CHTR2B |
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 |