Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.66 |
| ▸ | NPC1 | O15118 | 7/20 | 0.66 |
| ▸ | RAB9A | P51151 | 7/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | HTT | P42858 | 3/20 | 0.66 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.64 |
| ▸ | EPHB3 | P54753 | 5/20 | 0.59 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.59 |
| ▸ | LCK | P06239 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30117871 | 0.86 | ALDH1A1 (0.60) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3085478 | 0.84 | EPHB3 (0.62) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30269996 | 0.84 | ALDH1A1 (0.81) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30407121 | 0.83 | ALDH1A1 (0.64) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6121120 | 0.81 | NPC1 (0.63) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3457840 | 0.79 | KDM4E (0.61) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL31027465 | 0.79 | NPC1 (0.76) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL416200 | 0.77 | EPHB3 (0.56) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19538713 | 0.77 | ALDH1A1 (0.77) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30406540 | 0.77 | ALDH1A1 (0.57) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 |
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-2012072512-A1 | N-CYCLOBUTYL-IMIDAZOPYRIDINE OR -PYRAZOLOPYRIDINE CARBOXAMIDES AS TRPV1 ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2012-06-07 | — | — | WO | disclosed |