Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 7/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | DHPS | P49366 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10594550 | 0.79 | METAP2 (0.40) | PDE4AMETAP2PIK3CDPIK3CACYP19A1 | |
| SCHEMBL27871329 | 0.79 | IRAK4 (0.43) | PDE4AMETAP2DHPSCHRNB4CHRNA3 | |
| SCHEMBL10594578 | 0.79 | RAB9A (0.50) | CLK4NPC1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL30271753 | 0.79 | CYP19A1 (0.51) | CYP19A1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL27871315 | 0.79 | RAB9A (0.44) | METAP2PIK3CDPIK3CACYP19A1NPC1 | |
| SCHEMBL782769 | 0.79 | CLK4 (0.52) | PDE4AMETAP2PIK3CDCYP19A1DHPS | |
| SCHEMBL1163789 | 0.77 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2 | |
| Bromide SCHEMBL30271836 | 0.76 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10595730 | 0.76 | CYP1A2 (0.43) | CLK4DYRK1ACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL25220297 | 0.76 | CLK4 (0.68) | CYP19A1CLK4DYRK1ANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102656164-A | Pyrimidine compounds as tuberculosis inhibitors | VERTEX PHARMA | 2012-09-05 | — | — | CN | disclosed |