Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 8/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.33 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.33 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.33 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.33 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.33 |
| ▸ | TNKS | O95271 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 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 | |
|---|---|---|---|---|
| SCHEMBL1007936 | 0.76 | LCK (0.37) | LCKSIRT2PARP1TSHRPLAU | |
| SCHEMBL17476748 | 0.73 | LCK (0.40) | LCKPARP1TSHRHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4766162 | 0.71 | LCK (0.39) | LCKPARP1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL31750688 | 0.71 | TSHR (0.38) | LCKSIRT2PARP1TSHRHSD17B10 | |
| SCHEMBL27973449 | 0.71 | TSHR (0.38) | LCKSIRT2PARP1TSHRHSD17B10 | |
| SCHEMBL1227619 | 0.69 | LCK (0.34) | LCKSIRT2PARP1TSHRHSD17B10 | |
| SCHEMBL12056910 | 0.69 | SIRT2 (0.50) | LCKSIRT2PARP1TSHRHSD17B10 | |
| SCHEMBL23304599 | 0.68 | PARP1 (0.44) | LCKSIRT2PARP1TSHRHSD17B10 | |
| SCHEMBL9995986 | 0.68 | TSHR (0.45) | LCKPARP1TSHRHSD17B10ALDH1A1 | |
| SCHEMBL2357761 | 0.68 | LCK (0.36) | LCKPARP1TSHRPLAUHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109575016-A | PDE9 inhibitors and uses thereof | 南京药捷安康生物科技有限公司 | 2019-04-05 | — | — | CN | disclosed |