Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 7/20 | 0.45 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ALPL | P05186 | 1/20 | 0.34 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447412 | 0.98 | KCNA5 (0.42) | KCNA5KCNE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7449527 | 0.95 | KCNA5 (0.39) | KCNA5KCNE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7442466 | 0.80 | CYP2D6 (0.50) | KCNA5KCNE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7444395 | 0.74 | CYP2D6 (0.44) | KCNA5KCNE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9367012 | 0.72 | CYP2D6 (0.41) | KCNA5KCNE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2587778 | 0.70 | CYP2D6 (0.42) | KCNA5KCNE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8305070 | 0.68 | KCNA5 (0.76) | KCNA5KCNE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1743050 | 0.67 | GAA (0.46) | KCNA5KCNE1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6687327 | 0.65 | TSHR (0.32) | TSHR | |
| SCHEMBL7447748 | 0.65 | MEN1 (0.67) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0993448-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 2000-04-19 | — | — | EP | disclosed |
| WO-1998057934-A1 | (AMIDINO)6-MEMBERED AROMATICS AS FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-23 | — | — | WO | disclosed |