Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP27A1 | Q02318 | 1/20 | 0.43 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | MMP12 | P39900 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29169537 | 0.76 | PTGS1 (0.52) | CYP27A1CYP24A1PTGS1PTGS2ATM | |
| SCHEMBL30825588 | 0.76 | PTGS1 (0.52) | CYP27A1CYP24A1PTGS1PTGS2ATM | |
| SCHEMBL9296486 | 0.76 | PTGS1 (0.52) | CYP27A1CYP24A1PTGS1PTGS2ATM | |
| SCHEMBL2488144 | 0.75 | PTGS1 (0.51) | CYP27A1CYP24A1PTGS1PTGS2CA1 | |
| SCHEMBL9296275 | 0.74 | PTGS1 (0.50) | CYP27A1CYP24A1PTGS1PTGS2CA1 | |
| SCHEMBL13867248 | 0.72 | PTGS2 (0.37) | PTGS1PTGS2 | |
| Hydrochloric Acid SCHEMBL9296314 | 0.72 | CYP27A1 (0.40) | CYP27A1CYP24A1PTGS1PTGS2DRD2 | |
| SCHEMBL30569684 | 0.68 | CYP27A1 (0.41) | CYP27A1CYP24A1TAAR1ATMIDO1 | |
| SCHEMBL7089627 | 0.68 | CYP27A1 (0.37) | CYP27A1CYP24A1PTGS1PTGS2DRD2 | |
| SCHEMBL9296600 | 0.67 | TACR1 (0.52) | ATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5276053-A | Dibenzothiopyranylamines | WARNER-LAMBERT COMPANY (US) | 1994-01-04 | — | — | US | disclosed |
| US-5180736-A | Treatment and prevention of brain disorders | WARNER-LAMBERT COMPANY (US) | 1993-01-19 | — | — | US | disclosed |
| US-5071853-A | Amine-substituted hexahydroindeno(2,1-b)pyrroles, -indeno(2,1-c)pyridines or -indeno(2,1-d)azepines; cerebral ischemia or infarction | WARNER-LAMBERT COMPANY | 1991-12-10 | — | — | US | disclosed |
| EP-0388977-A2 | Polycyclic amines useful as cerebrovascular agents | WARNER-LAMBERT COMPANY (US) | 1990-09-26 | — | — | EP | disclosed |