Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2323394 | 0.81 | ADORA2A (0.62) | ADORA2AADORA1NPC1ALDH1A1RAB9A | |
| SCHEMBL3398025 | 0.80 | RAB9A (0.53) | IDO1ADORA2AADORA1ATRNPC1 | |
| SCHEMBL3395696 | 0.78 | ADORA2A (0.53) | ADORA2AADORA1DHFRNPC1ALDH1A1 | |
| SCHEMBL2323257 | 0.76 | KDM4E (0.53) | IDO1ADORA2AADORA1NOTUMATR | |
| SCHEMBL2324638 | 0.76 | ADORA2A (0.53) | IDO1ADORA2AADORA1ATRDHFR | |
| SCHEMBL30186623 | 0.76 | KDM4E (0.53) | IDO1ADORA2AADORA1NOTUMATR | |
| SCHEMBL2322961 | 0.76 | ADORA2A (0.50) | ADORA2AADORA1NOTUMATRNPC1 | |
| SCHEMBL3397491 | 0.75 | BACE1 (0.57) | DHFRBACE1MAPTPIK3CA | |
| SCHEMBL13425770 | 0.75 | SMN1; SMN2 (0.55) | DHFRNPC1ALDH1A1RAB9AKDM4E | |
| SCHEMBL3623102 | 0.75 | IDO1 (0.59) | IDO1CTSSCTSKNISCHBCL2 |
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-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |