Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K5 | Q99683 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3709433 | 0.83 | MAP3K5 (0.53) | MAP3K5NPC1RAB9AKDM4EMAPT | |
| SCHEMBL3718515 | 0.80 | PIK3CD (0.40) | MAP3K5PDE10AEGLN1 | |
| SCHEMBL1303590 | 0.76 | MAP3K5 (0.47) | MAP3K5NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL31204267 | 0.76 | MAP3K5 (0.50) | MAP3K5NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL1302670 | 0.76 | MAP3K5 (0.44) | MAP3K5NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL1303304 | 0.74 | MAP3K5 (0.41) | MAP3K5NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL2840981 | 0.74 | NOTUM (0.58) | PDE10ANOTUMNPC1ALDH1A1RAB9A | |
| SCHEMBL1302695 | 0.73 | MAP3K5 (0.46) | MAP3K5NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL1303814 | 0.73 | MAP3K5 (0.46) | MAP3K5NPC1ALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL1303573 | 0.73 | MAP3K5 (0.45) | MAP3K5NPC1ALDH1A1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |