Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14465374 | 0.85 | TDP1 (0.48) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| SCHEMBL20884900 | 0.79 | ALDH1A1 (0.43) | SMN1; SMN2ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL10140559 | 0.77 | TDP1 (0.54) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| SCHEMBL19157667 | 0.77 | RAPGEF4 (0.52) | TDP1TP53ALDH1A1RAB9AHSD17B10 | |
| SCHEMBL7330774 | 0.77 | TDP1 (0.54) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| SCHEMBL14610894 | 0.76 | TDP1 (0.52) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| SCHEMBL11888512 | 0.76 | RAPGEF4 (0.52) | TDP1SMN1; SMN2TP53ALDH1A1NPC1 | |
| SCHEMBL14524701 | 0.75 | TDP1 (0.46) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| SCHEMBL14304537 | 0.73 | GAA (0.46) | TDP1ALOX15CYP3A4SMN1; SMN2TP53 | |
| SCHEMBL18355205 | 0.72 | MEN1 (0.39) | TDP1SMN1; SMN2ALDH1A1NPC1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004083174-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |