Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5552840 | 0.83 | NPC1 (0.52) | ATMKIF11NPC1RAB9AMAPT | |
| SCHEMBL3292125 | 0.83 | NPC1 (0.52) | ATMKIF11NPC1RAB9AMAPT | |
| SCHEMBL13126853 | 0.80 | KIF11 (0.69) | CYP19A1KIF11CYP2A6CNR2 | |
| SCHEMBL13889346 | 0.80 | KIF11 (0.63) | KIF11NPC1RAB9AMAPTCNR2 | |
| SCHEMBL1622503 | 0.79 | KIF11 (0.62) | ATMCYP19A1KIF11NPC1RAB9A | |
| SCHEMBL19252592 | 0.79 | CYP19A1 (0.39) | ATMCYP19A1NPC1RAB9ACYP2A6 | |
| SCHEMBL12523344 | 0.79 | CYP19A1 (0.47) | ATMCYP19A1NPC1RAB9AMAPT | |
| SCHEMBL19480532 | 0.77 | KIF11 (0.52) | ATMKIF11NPC1RAB9AMAPT | |
| SCHEMBL779443 | 0.76 | NPC1 (0.58) | ATMNPC1RAB9AMAPTCNR2 | |
| SCHEMBL19389701 | 0.75 | TSHR (0.48) | ATMKIF11NPC1RAB9AMAPT |
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-7626039-B2 | Arylpropionamide, arylacrylamide, ayrlpropynamide, or arylmethylurea analogs as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-12-01 | — | — | US | disclosed |