Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.72 |
| ▸ | POLB | P06746 | 2/20 | 0.72 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | MDM4 | O15151 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3790102 | 0.88 | NPC1 (0.68) | HPGDPOLBNPC1RAB9AMAPT | |
| N-O-Tolylbenzamide SCHEMBL3223289 | 0.84 | HPGD (1.00) | HPGDPOLBNPC1RAB9AMAPT | |
| SCHEMBL4094232 | 0.83 | HDAC1 (0.72) | HPGDPOLBNPC1RAB9AMAPT | |
| SCHEMBL7264464 | 0.83 | POLB (0.77) | HPGDPOLBNPC1RAB9AMAPT | |
| SCHEMBL11769542 | 0.83 | POLB (0.77) | HPGDPOLBNPC1RAB9AMAPT | |
| SCHEMBL9621459 | 0.83 | MEN1 (0.82) | HPGDPOLBNPC1RAB9AMAPT | |
| SCHEMBL30288146 | 0.83 | POLB (0.77) | HPGDPOLBNPC1RAB9AMAPT | |
| SCHEMBL13602430 | 0.81 | MAPT (0.56) | HPGDPOLBNPC1RAB9AMAPT | |
| SCHEMBL14492571 | 0.81 | KCNK3 (0.63) | HPGDPOLBNPC1RAB9AMAPT | |
| SCHEMBL16330055 | 0.80 | POLB (0.72) | HPGDPOLBNPC1RAB9AMAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022089406-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海青煜医药科技有限公司 | 2022-05-05 | — | — | WO | disclosed |
| US-5412099-A | Intermediate benzothiazolyl- and benzoxazolyl-aldehyde compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1995-05-02 | — | — | US | disclosed |
| EP-0450420-B1 | Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments | BAYER AG (DE) | 1994-09-21 | — | — | EP | disclosed |
| US-5254692-A | Inotropic | BAYER AKTIENGESELLSCHAFT (DE) | 1993-10-19 | — | — | US | disclosed |
| US-5200420-A | Inotropic agents for cardiovascular disorders | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-06 | — | — | US | disclosed |
| EP-0450420-A2 | Dihydropyridines substituted by heterocycles, process for their preparation and their use in medicaments | BAYER AG (DE) | 1991-10-09 | — | — | EP | disclosed |