Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TTR | P02766 | 1/20 | 0.48 |
| ▸ | ALB | P02768 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.41 |
| ▸ | TLR4 | O00206 | 2/20 | 0.41 |
| ▸ | TLR2 | O60603 | 2/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28619341 | 0.83 | TDP1 (0.58) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL1922535 | 0.82 | TDP1 (0.43) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL1128959 | 0.77 | VCAM1 (0.53) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL11069630 | 0.77 | TDP1 (0.57) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL10714746 | 0.77 | MEN1 (0.54) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL1922533 | 0.73 | TDP1 (0.44) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL10717379 | 0.72 | ALDH1A1 (0.55) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL7807114 | 0.71 | MAPT (0.58) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL30060469 | 0.71 | MAPT (0.58) | TDP1MEN1KMT2ATTRALB | |
| SCHEMBL2326248 | 0.71 | MAPT (0.64) | TDP1MEN1KMT2ATTRALB |
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 |
|---|---|---|---|---|---|---|---|
| US-8252830-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-08-28 | — | — | US | claimed |