Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HAT1 | O14929 | 8/20 | 0.38 |
| ▸ | EP300 | Q09472 | 8/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.33 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454527 | 0.88 | NPC1 (0.40) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL17452738 | 0.84 | HAT1 (0.43) | HAT1EP300HTT | |
| SCHEMBL19902430 | 0.80 | NPC1 (0.36) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL20229602 | 0.79 | HAT1 (0.42) | RAB9AHAT1EP300USP30EPHB3 | |
| SCHEMBL19902395 | 0.79 | THRA (0.37) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL19902597 | 0.78 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL19997307 | 0.72 | MEN1 (0.43) | RAB9ASMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL20229813 | 0.71 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL19902424 | 0.71 | CCNC (0.35) | MEN1KMT2AALDH1A1 | |
| SCHEMBL20229774 | 0.70 | PDE2A (0.40) | KDM4EALDH1A1USP30EPHB3HSD17B10 |
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-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |