Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | PKM | P14618 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL11642352 | 0.89 | NPC1 (0.79) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11644226 | 0.88 | NPC1 (0.58) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11640399 | 0.87 | NPC1 (0.63) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11642364 | 0.87 | PKM (0.68) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11642077 | 0.87 | NPC1 (0.63) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11646362 | 0.87 | NPC1 (0.56) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11646666 | 0.86 | NPC1 (0.62) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11643076 | 0.86 | NPC1 (0.62) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11646478 | 0.83 | NPC1 (0.59) | NPC1PKMCYP2C19HDAC2KMT2A | |
| SCHEMBL11643891 | 0.83 | NPC1 (0.59) | NPC1PKMCYP2C19HDAC2MAPT |
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-4088780-A | ANTHELMINTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1978-05-09 | — | — | US | disclosed |
| US-4032655-A | PHENYLGUANIDINES USEFUL AS ANTHELMINTIC AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-06-28 | — | — | US | disclosed |
| US-4024176-A | Substituted phenylguanidines and processes for their preparation and use | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-17 | — | — | US | disclosed |
| US-3993682-A | Substituted phenylguanidines and processes for their preparation and use | BAYER AKTIENGESELLSCHAFT (DT) | 1976-11-23 | — | — | US | disclosed |