Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.55 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7037329 | 0.86 | KMT2A (0.67) | NPC1RAB9AKMT2AL3MBTL1MAPT | |
| SCHEMBL11825063 | 0.82 | NR4A2 (0.55) | NPC1RAB9AKMT2AL3MBTL1MAPT | |
| SCHEMBL15988676 | 0.82 | MAPT (0.78) | NPC1RAB9AKMT2AL3MBTL1MAPT | |
| SCHEMBL6201244 | 0.81 | RAB9A (0.62) | NPC1RAB9AKMT2AL3MBTL1MAPT | |
| SCHEMBL5335198 | 0.80 | RAB9A (0.73) | NPC1RAB9AKMT2AMAPTSMN1; SMN2 | |
| SCHEMBL16552644 | 0.78 | MMP1 (0.76) | NPC1RAB9AKMT2AL3MBTL1MAPT | |
| SCHEMBL2086994 | 0.77 | SMN1; SMN2 (0.53) | NPC1RAB9AKMT2AL3MBTL1MAPT | |
| SCHEMBL4461404 | 0.77 | SMN1; SMN2 (0.51) | NPC1RAB9AL3MBTL1SMN1; SMN2HPGD | |
| SCHEMBL5350551 | 0.77 | RAB9A (0.76) | NPC1RAB9AKMT2ASMN1; SMN2BCHE | |
| SCHEMBL15227842 | 0.76 | L3MBTL1 (0.68) | NPC1RAB9AKMT2AL3MBTL1MAPT |
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-113354586-B | Preparation method of trifluoromethyl-containing pyrazolone compound | 大连理工大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-113717092-A | Preparation method of trifluoromethyl-containing 3-substituted-2-indolinone compound | 美罗药业股份有限公司 | 2021-11-30 | — | — | CN | disclosed |
| CN-113354586-A | Preparation method of trifluoromethyl-containing pyrazolone compound | 大连理工大学 | 2021-09-07 | — | — | CN | disclosed |