Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 4/20 | 0.58 |
| ▸ | SLC22A12 | Q96S37 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 4/20 | 0.45 |
| ▸ | GSPT1 | P15170 | 1/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6983095 | 0.83 | BRD4 (0.51) | BRD4ALDH1A1PTPN2PTPN1PTPN5 | |
| SCHEMBL6984820 | 0.82 | HTR6 (0.61) | BRD4ALDH1A1TP53CA12CA1 | |
| SCHEMBL6985107 | 0.80 | LMNA (0.67) | BRD4ALDH1A1TP53CA12CA1 | |
| SCHEMBL6985547 | 0.80 | HTR6 (0.41) | BRD4CA12CA1CA2CA9 | |
| SCHEMBL6979787 | 0.79 | BRD4 (0.39) | BRD4ALDH1A1PKMLMNAMAPT | |
| SCHEMBL11698451 | 0.79 | CA12 (0.54) | ALDH1A1TP53TDP1CA12CA1 | |
| SCHEMBL31681377 | 0.78 | EIF2AK2 (0.54) | BRD4ALDH1A1TP53CA12CA1 | |
| SCHEMBL6976538 | 0.77 | PKM (0.65) | BRD4ALDH1A1CA12CA1CA2 | |
| SCHEMBL13247834 | 0.76 | GSPT1 (0.48) | BRD4PKMGSPT1DDB1CRBN | |
| SCHEMBL6985319 | 0.75 | CA12 (0.53) | ALDH1A1TP53CA12CA1CA2 |
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 4 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 |
| 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 |