Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.61 |
| ▸ | CTSB | P07858 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | AR | P10275 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CASP6 | P55212 | 2/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7788656 | 0.87 | TDP1 (0.80) | TDP1CTSBALDH1A1ARHSD17B10 | |
| SCHEMBL57166 | 0.77 | TDP1 (1.00) | TDP1CTSBALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL29475175 | 0.77 | TDP1 (1.00) | TDP1CTSBALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL6815901 | 0.75 | TDP1 (0.61) | TDP1CTSBALDH1A1ARHSD17B10 | |
| SCHEMBL297029 | 0.75 | TDP1 (0.61) | TDP1CTSBALDH1A1ARHSD17B10 | |
| SCHEMBL3606794 | 0.75 | TDP1 (0.61) | TDP1CTSBALDH1A1ARHSD17B10 | |
| SCHEMBL589663 | 0.75 | CTSB (1.00) | TDP1CTSBALDH1A1ARCYP3A4 | |
| SCHEMBL16990730 | 0.75 | TDP1 (0.61) | TDP1CTSBALDH1A1ARHSD17B10 | |
| SCHEMBL8722948 | 0.75 | TDP1 (0.61) | TDP1CTSBALDH1A1ARHSD17B10 | |
| SCHEMBL1379532 | 0.75 | TDP1 (0.61) | TDP1CTSBALDH1A1ARHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5773411-A | CARDIOVASCULAR DISORDERS AND BRAIN DISORDERS AND COAGULANTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0672059-A1 | CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994011398-A1 | CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-05-26 | — | — | WO | disclosed |