Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.54 |
| ▸ | RELA | Q04206 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | CASP1 | P29466 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 4/20 | 0.41 |
| ▸ | MMP1 | P03956 | 3/20 | 0.41 |
| ▸ | MMP9 | P14780 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19192553 | 0.80 | RAB9A (0.49) | NPC1RAB9AMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL19492784 | 0.80 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL20249842 | 0.79 | MAPT (0.47) | NPC1RAB9AMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL20249819 | 0.79 | MEN1 (0.67) | NPC1RAB9AMAPTSMN1; SMN2IDO1 | |
| SCHEMBL25711639 | 0.77 | RAB9A (0.54) | NPC1RAB9AMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL20249697 | 0.77 | NPC1 (0.33) | NPC1RAB9AMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL20249838 | 0.75 | SMN1; SMN2 (0.39) | NPC1RAB9AMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL19657932 | 0.74 | NPC1 (0.71) | NPC1RAB9AMAPTSMN1; SMN2NFKB1 | |
| SCHEMBL3443268 | 0.74 | IDO1 (0.58) | NPC1RAB9AMAPTIDO1MEN1 | |
| SCHEMBL20250034 | 0.73 | NPC1 (0.59) | NPC1RAB9AMAPTSMN1; SMN2NFKB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018107056-A1 | 1,3-SUBSTITUED PYRAZOLE COMPOUNDS USEFUL FOR REDUCTION OF VERY LONG CHAIN FATTY ACIC LEVELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |