Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.60 |
| ▸ | RAB9A | P51151 | 7/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20691197 | 0.85 | SMN1; SMN2 (0.62) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL11759969 | 0.82 | SMN1; SMN2 (0.68) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL5645657 | 0.79 | SMN1; SMN2 (0.68) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL3713301 | 0.77 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL20284039 | 0.77 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL4135335 | 0.75 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL17675351 | 0.75 | SMN1; SMN2 (0.68) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL2998577 | 0.75 | SMN1; SMN2 (1.00) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL7679084 | 0.74 | SMN1; SMN2 (0.67) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 | |
| SCHEMBL396577 | 0.74 | SMN1; SMN2 (0.67) | NPC1RAB9ASMN1; SMN2TSHRNFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3057956-B1 | POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) | DANA FARBER CANCER INST INC (US) | 2021-05-05 | — | — | EP | disclosed |