Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.61 |
| ▸ | NPC1 | O15118 | 4/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.60 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | IKBKB | O14920 | 1/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6977760 | 0.98 | RAB9A (0.59) | RAB9ANPC1ADORA2AADORA1POLB | |
| SCHEMBL28880529 | 0.87 | RAB9A (0.76) | RAB9ANPC1ADORA2AADORA1POLB | |
| SCHEMBL27774680 | 0.86 | NPC1 (0.57) | RAB9ANPC1ADORA2AADORA1POLB | |
| SCHEMBL6017000 | 0.82 | RAB9A (0.47) | RAB9ANPC1ADORA2AADORA1POLB | |
| SCHEMBL6310578 | 0.81 | HSP90AA1 (0.70) | RAB9ANPC1ADORA2AADORA1POLB | |
| SCHEMBL3420215 | 0.80 | RAB9A (0.67) | RAB9ANPC1ADORA2AADORA1POLB | |
| SCHEMBL23733877 | 0.79 | BCL2L1 (0.48) | RAB9ANPC1ADORA2AADORA1ADORA3 | |
| SCHEMBL17269527 | 0.79 | BCL2L1 (0.48) | RAB9ANPC1ADORA2AADORA1ADORA3 | |
| SCHEMBL31366845 | 0.79 | SMN1; SMN2 (0.51) | RAB9ANPC1ADORA2AADORA1POLB | |
| SCHEMBL6982316 | 0.78 | RAB9A (0.64) | RAB9ANPC1ADORA2AADORA1POLB |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1820001-A | Substituted heterocyclic diarylamine analogues | NEUROGEN CORP (US) | 2006-08-16 | — | — | CN | claimed |
| CN-113461660-B | 2,4, 6-trisubstituted-1, 3, 5-s-triazine compound, preparation and application thereof | 浙江大学 | 2022-08-02 | — | — | CN | disclosed |
| CN-113461660-A | 2,4, 6-trisubstituted-1, 3, 5-s-triazine compound, preparation and application thereof | 浙江大学 | 2021-10-01 | — | — | CN | disclosed |
| US-8330039-B2 | Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-12-11 | — | — | US | disclosed |
| EP-2380208-A1 | SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND | E. I. du Pont de Nemours and Company (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010085664-A1 | SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-07-29 | — | — | WO | disclosed |
| US-20100180947-A1 | SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-07-22 | — | — | US | disclosed |
| CN-1820001-A | Substituted heterocyclic diarylamine analogues | NEUROGEN CORP (US) | 2006-08-16 | — | — | CN | disclosed |
| EP-0563386-A1 | ANTICANCER COMPOSITION AND COMPOUND | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1993-10-06 | — | — | EP | disclosed |
| US-4333933-A | ANTIINFLAMMATORY, REACTING HALO BENZOGUANAMINE WITH NICOTINE ACID DERIVAGIVE | NIPPON SHINYAKU CO., LTD. (JP) | 1982-06-08 | — | — | US | disclosed |