Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.49 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.49 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7808225 | 0.85 | ALDH1A1 (0.60) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL29702809 | 0.82 | TDP1 (0.56) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL2675557 | 0.82 | TDP1 (0.56) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL17914171 | 0.79 | HTT (0.50) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL11794940 | 0.79 | ALDH1A1 (0.50) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL11444004 | 0.78 | ALDH1A1 (0.58) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL7155513 | 0.78 | TDP1 (0.55) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL9722405 | 0.78 | TDP1 (0.60) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL1524806 | 0.77 | ALDH3A1 (0.65) | TDP1ALDH1A1HTTMAPK1GPR35 | |
| SCHEMBL7052987 | 0.77 | ALDH1A1 (0.49) | TDP1ALDH1A1HTTGPR35KMT2A |
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-20120291931-A1 | COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF | MCDERMOTT WILL & EMERY | 2012-11-22 | — | — | US | claimed |
| US-20100096050-A1 | MODIFIER FOR EXPLOSIVES | LIMITED LIABILITY COMPANY IFO | 2010-04-22 | — | — | US | claimed |
| US-20120291931-A1 | COMPOSITE COMPOUND INCLUDING EXPLOSIVE AND MODIFIER FOR EXPLOSIVE AND METHOD OF MANUFACTURE THEREOF | MCDERMOTT WILL & EMERY | 2012-11-22 | — | — | US | disclosed |