Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.56 |
| ▸ | RAB9A | P51151 | 8/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8238907 | 0.90 | PKM (0.58) | NPC1RAB9ACASP1PKMSMN1; SMN2 | |
| SCHEMBL19011398 | 0.90 | SMN1; SMN2 (0.58) | NPC1RAB9ACASP1PKMSMN1; SMN2 | |
| SCHEMBL12994652 | 0.86 | PKM (0.54) | NPC1RAB9ACASP1PKMSMN1; SMN2 | |
| SCHEMBL10192215 | 0.85 | RAB9A (0.70) | NPC1RAB9ACASP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4843520 | 0.85 | RAB9A (0.67) | NPC1RAB9ACASP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2056347 | 0.84 | RAB9A (0.61) | NPC1RAB9ACASP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10192025 | 0.84 | SMN1; SMN2 (0.52) | NPC1RAB9ACASP1PKMSMN1; SMN2 | |
| SCHEMBL21059194 | 0.84 | RAB9A (0.64) | NPC1RAB9ACASP1PKMSMN1; SMN2 | |
| SCHEMBL2054645 | 0.83 | SMN1; SMN2 (0.56) | NPC1RAB9ACASP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL27770547 | 0.83 | RAB9A (0.55) | NPC1RAB9ACASP1PKMSMN1; SMN2 |
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-2007070826-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-21 | — | — | WO | disclosed |