Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 7/20 | 0.60 |
| ▸ | XIAP | P98170 | 3/20 | 0.38 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14823131 | 0.81 | NOTUM (0.65) | NOTUMXIAPBIRC2NPC1TP53 | |
| SCHEMBL17636177 | 0.79 | NOTUM (0.63) | NOTUMXIAPBIRC2CRBN | |
| SCHEMBL17436116 | 0.79 | NOTUM (0.63) | NOTUMXIAPBIRC2HSD17B3 | |
| SCHEMBL10257474 | 0.79 | NOTUM (0.63) | NOTUMXIAPBIRC2HSD17B3CRBN | |
| SCHEMBL17436030 | 0.78 | NOTUM (0.61) | NOTUMXIAPBIRC2KDM4EALDH1A1 | |
| SCHEMBL17446870 | 0.78 | NOTUM (0.57) | NOTUMXIAPBIRC2KDM4EALDH1A1 | |
| SCHEMBL8957579 | 0.77 | NOTUM (0.60) | NOTUMXIAPBIRC2ALDH1A1HSD17B3 | |
| SCHEMBL10289631 | 0.77 | NOTUM (0.60) | NOTUMXIAPBIRC2ALDH1A1TP53 | |
| SCHEMBL17446879 | 0.75 | NOTUM (0.67) | NOTUMXIAPBIRC2KDM4EALDH1A1 | |
| SCHEMBL17446885 | 0.75 | NOTUM (1.00) | NOTUMKDM4EALDH1A1SMN1; SMN2HSD17B3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011072241-A9 | 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-14 | — | — | WO | disclosed |
| WO-2011072241-A1 | 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-16 | — | — | WO | disclosed |