Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OGG1 | O15527 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | F13A1 | P00488 | 2/20 | 0.36 |
| ▸ | TGM2 | P21980 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TGM1 | P22735 | 1/20 | 0.36 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28180042 | 0.82 | CYP3A4 (0.47) | LMNAMEN1KMT2ACA1CA2 | |
| SCHEMBL28116855 | 0.80 | ALDH1A1 (0.48) | CES2CES1LMNAMEN1KMT2A | |
| SCHEMBL28177790 | 0.80 | KDM4E (0.44) | CES2CES1TGM2LMNATDP1 | |
| SCHEMBL9037566 | 0.80 | ALDH1A1 (0.39) | IDO1CES2CES1TGM2MEN1 | |
| SCHEMBL6206534 | 0.79 | NPSR1 (0.48) | MEN1KMT2ATDP1NPC1HTT | |
| SCHEMBL27842747 | 0.78 | TSHR (0.46) | CES2CES1MEN1KMT2ACA1 | |
| SCHEMBL27871979 | 0.78 | PARP1 (0.42) | OGG1IDO1TGM2NPC1RAB9A | |
| SCHEMBL22251861 | 0.77 | IDO1 (0.43) | IDO1LMNAMEN1KMT2AGSK3B | |
| SCHEMBL27467210 | 0.77 | ALDH1A1 (0.45) | MEN1KMT2ATDP1HDAC6KDM4E | |
| SCHEMBL27892920 | 0.77 | NPC1 (0.40) | LMNAMEN1KMT2AHDAC2HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3464262-B1 | TRIAZOLONES AND TETRAZOLONES AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-02-26 | — | — | EP | disclosed |
| CN-106232581-A | Non-platinum based anti-cancer compounds for targeted chemotherapy | 卢庆彬 | 2016-12-14 | — | — | CN | disclosed |