Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 14/20 | 0.35 |
| ▸ | DNM1L | O00429 | 2/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.33 |
| ▸ | NTRK2 | Q16620 | 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 | |
|---|---|---|---|---|
| SCHEMBL14038151 | 0.82 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2CFTRDNM1L | |
| SCHEMBL3640725 | 0.81 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2CFTRNR1I2 | |
| SCHEMBL3637763 | 0.80 | POLQ (0.39) | NPC1RAB9ASMN1; SMN2CFTRNR1I2 | |
| SCHEMBL3636415 | 0.78 | GPR142 (0.41) | NPC1RAB9ASMN1; SMN2CFTRNR1I2 | |
| SCHEMBL16161230 | 0.77 | CFTR (0.42) | NPC1RAB9ASMN1; SMN2CFTRNR1I2 | |
| SCHEMBL14038066 | 0.76 | MAP4K1 (0.38) | NPC1RAB9ASMN1; SMN2CFTRDNM1L | |
| SCHEMBL3668319 | 0.76 | CFTR (0.38) | NPC1RAB9ASMN1; SMN2CFTRNR1I2 | |
| SCHEMBL3636837 | 0.74 | CFTR (0.40) | NPC1RAB9ACFTRNR1I2ADORA3 | |
| SCHEMBL3636612 | 0.73 | PIK3CA (0.38) | CFTRNR1I2ADORA3CYP2C8CYP2C9 | |
| SCHEMBL19225785 | 0.73 | CFTR (0.49) | CFTRNR1I2ADORA3CYP2C8CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-9725440-B2 | Modulators of CFTR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-08-08 | — | — | US | disclosed |