Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | SYK | P43405 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11372821 | 0.83 | MAP4K4 (0.67) | NPC1RAB9AMEN1KMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL30289774 | 0.82 | NPC1 (0.59) | PARP1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL2347376 | 0.82 | NPC1 (0.62) | PARP1NPC1RAB9AALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL30398025 | 0.80 | NPC1 (0.61) | PARP1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL11372790 | 0.80 | MAPT (0.45) | NPC1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL11365792 | 0.79 | NPC1 (0.44) | NPC1RAB9AMAP4K4NOS1PIK3CA | |
| SCHEMBL11368641 | 0.79 | ADORA2A (0.55) | PARP1RAB9AMEN1KMT2AMAP4K4 | |
| SCHEMBL11372513 | 0.77 | CYP1A2 (0.50) | NPC1RAB9AALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL14329875 | 0.77 | NPC1 (0.58) | PARP1NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL11365471 | 0.76 | MAP4K4 (0.45) | PARP1MAP4K4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4260759-A | CONDENSATION OF NITRILES | SCHERING-CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |
| US-4115395-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-4107166-A | ANTIFUNGAL, ANTIBACTERIAL | SCHERING CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |
| US-4017500-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1977-04-12 | — | — | US | disclosed |