Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4163746 | 0.87 | TACR1 (0.60) | ALDH1A1HSD17B10TACR1SMN1; SMN2MEN1 | |
| SCHEMBL3599397 | 0.87 | TACR1 (0.60) | ALDH1A1HSD17B10TACR1SMN1; SMN2MEN1 | |
| SCHEMBL6231022 | 0.83 | TACR1 (0.47) | ALDH1A1KDM4EHSD17B10TACR1RAB9A | |
| SCHEMBL13920469 | 0.82 | ALDH1A1 (0.47) | ALDH1A1KDM4EHSD17B10TACR1RAB9A | |
| SCHEMBL21180503 | 0.80 | TACR1 (0.50) | ALDH1A1TACR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL1480134 | 0.79 | CTSS (0.50) | RAB9ANAMPTCYP3A4 | |
| SCHEMBL4148003 | 0.79 | CTSS (0.50) | RAB9ANAMPTCYP3A4 | |
| SCHEMBL4148011 | 0.79 | CTSS (0.50) | RAB9ANAMPTCYP3A4 | |
| SCHEMBL15270209 | 0.78 | RAB9A (0.47) | ALDH1A1RAB9ANAMPTCYP3A4 | |
| SCHEMBL29527431 | 0.78 | CTSK (0.57) | TACR1KMT2A |
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-1567489-B1 | PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA | GLAXO GROUP LTD (GB) | 2008-07-23 | — | — | EP | disclosed |
| WO-2004052851-A1 | PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA | GLAXO GROUP LIMITED (GB) | 2004-06-24 | — | — | WO | disclosed |