Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.49 |
| ▸ | RAB9A | P51151 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | EPHB3 | P54753 | 5/20 | 0.48 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6121120 | 0.81 | NPC1 (0.63) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL956445 | 0.78 | EPHB3 (0.48) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1286674 | 0.75 | NPC1 (0.68) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1863799 | 0.74 | NPC1 (0.58) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL17867589 | 0.73 | NPC1 (0.51) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL416200 | 0.73 | EPHB3 (0.56) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL6450616 | 0.72 | NPC1 (0.54) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| Hydrochloric Acid SCHEMBL30152645 | 0.71 | EPHB3 (0.55) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL1044120 | 0.71 | EPHB3 (0.58) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL11300658 | 0.71 | EPHB3 (0.55) | NPC1RAB9AALDH1A1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2627181-A2 | HETEROARYLS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012051410-A2 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-04-19 | — | — | WO | disclosed |