Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | DHPS | P49366 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8291879 | 0.83 | CYP2A6 (0.36) | APPALDH1A1 | |
| SCHEMBL422041 | 0.77 | HDAC3 (0.52) | APPALDH1A1ESR1ESR2HDAC3 | |
| SCHEMBL2091131 | 0.74 | DHPS (0.34) | APPDHPS | |
| SCHEMBL31009687 | 0.74 | CYP2A6 (0.38) | APPALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL3962610 | 0.74 | CYP2A6 (0.38) | APPALDH1A1HDAC3HDAC4HDAC1 | |
| SCHEMBL147786 | 0.74 | GFER (0.41) | APPALDH1A1MAPTCHRNA7 | |
| SCHEMBL12278184 | 0.74 | CA2 (0.52) | APPALDH1A1MAPT | |
| SCHEMBL5241572 | 0.74 | ESR2 (0.58) | ESR1ESR2 | |
| SCHEMBL144486 | 0.74 | ALDH1A1 (0.38) | ALDH1A1ESR1ESR2MAPTCHRNA7 | |
| SCHEMBL2742924 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006041831-A2 | CYCLIC Β-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-04-20 | — | — | WO | disclosed |
| WO-2005032468-A2 | MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |
| WO-2003026652-A1 | LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-04-03 | — | — | WO | disclosed |