Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 6/20 | 0.34 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.33 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.33 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.33 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.33 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.33 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.33 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 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 | |
|---|---|---|---|---|
| SCHEMBL12482950 | 0.85 | KDM4E (0.45) | TSHRSIRT2MAPK1ALDH1A1KDM4E | |
| SCHEMBL2115737 | 0.75 | SIRT2 (0.37) | TSHRSIRT2LCKPARP1MAPKAPK2 | |
| SCHEMBL28259357 | 0.75 | KDM4E (0.41) | TSHRSIRT2MAPK1ALDH1A1KDM4E | |
| SCHEMBL1007936 | 0.71 | LCK (0.37) | TSHRSIRT2LCKPARP1IP6K1 | |
| SCHEMBL6033497 | 0.71 | MEN1 (0.39) | ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL22418394 | 0.71 | ADORA3 (0.36) | TSHRLCKKMT2A | |
| SCHEMBL30445575 | 0.71 | NNMT (0.51) | SIRT2SMN1; SMN2 | |
| SCHEMBL5579532 | 0.71 | TSHR (0.44) | TSHRSIRT2LCKPARP1RPS6KA3 | |
| SCHEMBL4437948 | 0.71 | TSHR (0.44) | TSHRSIRT2LCKPARP1MAPKAPK2 | |
| SCHEMBL20568616 | 0.70 | BTK (0.32) | LCK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110430878-A | Antitumor agent and bromine structural domain inhibitor | FUJIFILM CORP | 2019-11-08 | — | — | CN | disclosed |
| CN-108137505-A | Nitrogen-containing heterocycle compound | 富士胶片株式会社 | 2018-06-08 | — | — | CN | disclosed |
| CN-104039152-A | Antibacterial compounds | GLAXO GROUP LTD | 2014-09-10 | — | — | CN | disclosed |