Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HEXA | P06865 | 3/20 | 0.33 |
| ▸ | HEXB | P07686 | 3/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1090279 | 0.81 | ALDH1A1 (0.39) | KMT2AALDH1A1MAPTDHFRHEXA | |
| SCHEMBL27544017 | 0.75 | HEXA (0.49) | DHFRPOLBHEXAHEXB | |
| SCHEMBL1091936 | 0.72 | DHFR (0.47) | KMT2AALDH1A1MAPTDHFRHEXA | |
| SCHEMBL17545030 | 0.70 | DHFR (0.54) | DHFRHEXAHEXBCYP2D6 | |
| SCHEMBL28043037 | 0.69 | HEXA (0.33) | KMT2AALDH1A1MAPTHEXAHEXB | |
| 2-Ethoxyethanol SCHEMBL11177096 | 0.69 | ALDH1A1 (0.64) | KMT2AALDH1A1MAPTMEN1NOS1 | |
| SCHEMBL1089764 | 0.67 | CDK1 (0.37) | ALDH1A1DHFRHEXAHEXBCYP2D6 | |
| Ether SCHEMBL917077 | 0.66 | LMNA (0.41) | KMT2AALDH1A1NOS1 | |
| SCHEMBL12484463 | 0.66 | HEXA (0.48) | KMT2AALDH1A1DHFRMEN1TDP1 | |
| SCHEMBL4375162 | 0.66 | DHFR (0.49) | DHFRHEXAHEXBCYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8153625-B2 | Nitrogen-containing heterocyclic compounds and medicinal use thereof | ONO PHARMACEUTICAL CO., LTD. (JP) | 2012-04-10 | — | — | US | disclosed |