Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | C1S | P09871 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL3634004 | 0.86 | TPMT (0.52) | TPMTLMNAMAPTALDH1A1HCAR1 | |
| SCHEMBL31536272 | 0.84 | TPMT (0.41) | TPMTRAB9ANPC1KDRMAPT | |
| SCHEMBL910082 | 0.82 | TPMT (0.40) | TPMTRAB9ANPC1LMNAKDR | |
| SCHEMBL7787277 | 0.82 | GSK3B (0.53) | TPMTRAB9AKDRMAPTALDH1A1 | |
| SCHEMBL24270068 | 0.78 | KMT2A (0.55) | TPMTRAB9ALMNAALDH1A1HTT | |
| SCHEMBL1363884 | 0.78 | PARP1 (0.50) | TPMTRAB9ANPC1KDRMAPT | |
| SCHEMBL29547990 | 0.77 | TPMT (0.46) | TPMTRAB9ANPC1LMNAKDR | |
| SCHEMBL7786069 | 0.77 | TPMT (0.46) | TPMTRAB9ANPC1LMNAKDR | |
| SCHEMBL10595726 | 0.77 | CES2 (0.40) | HCAR1GSK3BPARP1KDM4EHDAC3 | |
| SCHEMBL28898090 | 0.77 | KMT2A (0.40) | RAB9ALMNAMAPTALDH1A1GSK3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-102898374-B | A kind of preparation method of 1H-indazole analog derivative | SHANGHAI BEPHARM CO., LTD. (CN) | 2016-03-23 | — | — | CN | disclosed |