Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.36 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22525858 | 0.92 | MAPT (0.40) | MAPTCYP1A2POLBHPGDKDM5A | |
| SCHEMBL28835644 | 0.89 | KDM5A (0.41) | MAPTCYP1A2POLBHPGDKDM5A | |
| SCHEMBL10955293 | 0.80 | MAPT (0.49) | MAPTKDM5AKDM7AKDM4CPHF8 | |
| SCHEMBL10846131 | 0.80 | MAPT (0.49) | MAPTKDM5AKDM7AKDM4CPHF8 | |
| SCHEMBL10955298 | 0.80 | MAPT (0.49) | MAPTKDM5AKDM7AKDM4CPHF8 | |
| SCHEMBL26224546 | 0.80 | MAPT (0.45) | MAPTCYP1A2POLBHPGDKDM5A | |
| SCHEMBL29828535 | 0.79 | KMT2A (0.55) | MAPTCYP1A2PKMHTTKMT2A | |
| SCHEMBL10700865 | 0.79 | MAPT (0.40) | MAPTCYP1A2POLBHPGDKDM5A | |
| SCHEMBL10607163 | 0.79 | MAPT (0.33) | MAPT | |
| SCHEMBL24029527 | 0.78 | TDP1 (0.38) | MAPTCYP1A2POLBHPGDPKM |
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 |
|---|---|---|---|---|---|---|---|
| US-4060639-A | Broad spectrum antibacterial compositions containing tris-(hydroxymethyl)-aminoethane and dicycloaliphatic-alkyl polyamines | MERCK & CO., INC. (US) | 1977-11-29 | — | — | US | disclosed |
| US-4049417-A | CONTAINING CYCLOHEXYL OR CYCLOHEXENYL RINGS | MERCK & CO., INC. (US) | 1977-09-20 | — | — | US | disclosed |