Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30843879 | 0.81 | CYP1A2 (0.62) | CYP1A2CYP3A4CLK4TSHRCYP2D6 | |
| SCHEMBL30804557 | 0.81 | CYP1A2 (0.62) | CYP1A2CYP3A4CLK4TSHRCYP2D6 | |
| SCHEMBL29650643 | 0.81 | MAPT (0.49) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL13272569 | 0.81 | CYP1A2 (0.62) | CYP1A2CYP3A4CLK4TSHRCYP2D6 | |
| Hydrochloric Acid SCHEMBL11861199 | 0.80 | CYP1A2 (0.61) | CYP1A2CYP3A4CLK4TSHRCYP2D6 | |
| SCHEMBL6091929 | 0.78 | ADORA2A (0.38) | ADORA2AADORA1CYP1A2NPC1RAB9A | |
| SCHEMBL8218589 | 0.75 | KDM4E (0.49) | ADORA2AALDH1A1HSD17B10MEN1KMT2A | |
| SCHEMBL14727632 | 0.75 | CYP1A2 (0.50) | ADORA2AADORA1CYP1A2CYP3A4CLK4 | |
| SCHEMBL29859473 | 0.73 | SMN1; SMN2 (0.57) | ADORA2AADORA1CYP1A2CYP3A4TSHR | |
| SCHEMBL20273560 | 0.72 | ADORA2A (0.49) | ADORA2AADORA1CYP1A2CYP3A4CLK4 |
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-7005435-B2 | Lactam-containing compounds and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2006-02-28 | — | — | US | disclosed |