Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 3/20 | 0.36 |
| ▸ | GABRD | O14764 | 3/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.36 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.36 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.36 |
| ▸ | GABRE | P78334 | 3/20 | 0.36 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31231900 | 1.00 | PTPN1 (0.50) | PTPN1HTTKDM4EMAOAMAOB | |
| SCHEMBL9056432 | 0.85 | PTPN1 (0.61) | PTPN1HTTKDM4EMAOAMAOB | |
| SCHEMBL23330372 | 0.83 | CYP11B1 (0.42) | PTPN1HTTKDM4EMAOAMAOB | |
| SCHEMBL28006934 | 0.78 | PTPN1 (0.53) | PTPN1HTTMAOAMAOBKMT2A | |
| SCHEMBL30695267 | 0.78 | PTPN1 (0.53) | PTPN1HTTMAOAMAOBKMT2A | |
| SCHEMBL718267 | 0.75 | PTPN1 (0.50) | PTPN1HTTKDM4EMAOAMAOB | |
| SCHEMBL31231895 | 0.75 | PTPN1 (0.50) | PTPN1HTTKDM4EMAOAMAOB | |
| SCHEMBL2090321 | 0.75 | PTPN1 (0.50) | PTPN1HTTKDM4EMAOAMAOB | |
| SCHEMBL20274093 | 0.75 | PTPN1 (0.50) | PTPN1HTTKDM4EKMT2AGLA | |
| SCHEMBL8256758 | 0.75 | PTPN1 (0.50) | PTPN1HTTKDM4EMAOAMAOB |
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-4053124-A1 | FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2022-09-07 | — | — | EP | disclosed |
| WO-2021083060-A1 | FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF | 中国科学院上海药物研究所 | 2021-05-06 | — | — | WO | disclosed |