Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 9/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27449774 | 0.76 | PTPN1 (0.56) | PTPN1MAPTSMN1; SMN2 | |
| SCHEMBL27568244 | 0.73 | PTPN1 (0.47) | PTPN1NOS2MAPTSMN1; SMN2 | |
| SCHEMBL6598928 | 0.72 | CALM1 (0.44) | METPTPN1CYP19A1NOS2CALM1 | |
| SCHEMBL3011168 | 0.70 | PPID (0.50) | SMN1; SMN2 | |
| SCHEMBL22403769 | 0.70 | GLA (0.51) | METCA12CA9NPC1RAB9A | |
| SCHEMBL5384679 | 0.69 | CALM1 (0.42) | METPTPN1CYP19A1NOS2CALM1 | |
| SCHEMBL15650646 | 0.68 | NPC1 (0.51) | METNPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL6896587 | 0.68 | NFKB1 (0.58) | CYP19A1MAPTALOX5OR51E2NFKB1 | |
| SCHEMBL10412135 | 0.67 | CYP19A1 (0.74) | PTPN1CYP19A1NOS2ALOX5OR51E2 | |
| SCHEMBL5383983 | 0.66 | CDC25C (0.60) | CA12CA4CA9MAPTRAB9A |
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-1265891-A2 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2002-12-18 | — | — | EP | disclosed |
| WO-2001068643-A2 | NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) | 2001-09-20 | — | — | WO | disclosed |