Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.58 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | CTRC | Q99895 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | RPA1 | P27694 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2929188 | 0.83 | LDHA (0.56) | KMOMCL1KDM4EALDH1A1P4HTM | |
| SCHEMBL3744416 | 0.82 | NPC1 (0.51) | KMOMAP4K4KDM4ECA12ALPL | |
| SCHEMBL5548989 | 0.80 | KDM4E (0.52) | KMOKDM4EALDH1A1P4HTMEGLN1 | |
| SCHEMBL1549854 | 0.78 | P2RY14 (0.47) | KMOMAP4K4KDM4EKMT2APARP1 | |
| SCHEMBL4725410 | 0.78 | MAP4K4 (0.68) | KMOMAP4K4MCL1KDM4EALDH1A1 | |
| SCHEMBL4558391 | 0.77 | MAP4K4 (0.55) | KMOMAP4K4KDM4EALDH1A1P4HTM | |
| SCHEMBL3747046 | 0.77 | ALPL (0.52) | KMOKDM4EALPLALDH1A1SMN1; SMN2 | |
| SCHEMBL7406138 | 0.77 | KMO (0.43) | KMOMAP4K4KDM4EALDH1A1EGLN1 | |
| SCHEMBL7406137 | 0.77 | KMO (0.43) | KMOMAP4K4KDM4EALDH1A1EGLN1 | |
| SCHEMBL5648046 | 0.75 | LDHA (0.71) | KMOMAP4K4KDM4ECA12ALPL |
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 |
|---|---|---|---|---|---|---|---|
| CN-103153957-B | N-pyridin-3-yl or N-pyrazin-2-yl carboxamides | HOFFMAN-LA ROCHE LTD. (CH) | 2016-01-20 | — | — | CN | disclosed |
| CN-103153957-A | N-pyridin-3-yl or N-pyrazin-2-yl carboxamides | HOFFMANN LA ROCHE | 2013-06-12 | — | — | CN | disclosed |