Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1156173 | 0.81 | NPC1 (0.44) | PTPN1ERCC5FEN1HTTTP53 | |
| SCHEMBL31019640 | 0.81 | NPC1 (0.44) | PTPN1ERCC5FEN1HTTTP53 | |
| SCHEMBL11883200 | 0.80 | NPC1 (0.48) | CASP3SENP7SENP6LMNASMN1; SMN2 | |
| SCHEMBL29816332 | 0.77 | PTPN1 (0.44) | CASP3SENP7SENP6PTPN1ERCC5 | |
| SCHEMBL194529 | 0.77 | PTPN1 (0.44) | CASP3SENP7SENP6PTPN1ERCC5 | |
| SCHEMBL5746000 | 0.74 | PTPN1 (0.44) | PTPN1ERCC5FEN1KDM4ELMNA | |
| SCHEMBL28220980 | 0.73 | PTPN1 (0.49) | PTPN1ERCC5FEN1KDM4ELMNA | |
| SCHEMBL13036685 | 0.71 | PTPN1 (0.53) | CASP3SENP7SENP6PTPN1ERCC5 | |
| SCHEMBL31607663 | 0.71 | PTPN1 (0.53) | CASP3SENP7SENP6PTPN1ERCC5 | |
| SCHEMBL27314350 | 0.71 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2AMAPTMAPK1 |
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-105646453-A | Synthesis method of 5-(2-fluorophenyl)-N-methyl-1-(3-pyridyl sulfonyl)-1H-pyrrole-3-methanamine fumarate TAK438 | 寿光富康制药有限公司 | 2016-06-08 | — | — | CN | disclosed |