Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NCF1 | P14598 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14424724 | 0.82 | ALDH1A1 (0.42) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14424725 | 0.82 | ALDH1A1 (0.42) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13631854 | 0.79 | NCF1 (0.44) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28849227 | 0.78 | NPC1 (0.45) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17749070 | 0.76 | NCF1 (0.42) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL31016542 | 0.76 | USP5 (0.47) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17749068 | 0.76 | NCF1 (0.42) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL14431011 | 0.75 | NCF1 (0.47) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19272107 | 0.75 | NCF1 (0.47) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13868217 | 0.75 | NCF1 (0.47) | CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9745329-B1 | Method of preparing silylative-reduced N-heterocyclic compound using organoboron catalyst | INSTITUTE FOR BASIC SCIENCE (KR) | 2017-08-29 | — | — | US | disclosed |
| US-9745329-B1 | Method of preparing silylative-reduced N-heterocyclic compound using organoboron catalyst | INSTITUTE FOR BASIC SCIENCE (KR) | 2017-08-29 | — | — | US | disclosed |
| WO-2016076479-A1 | METHOD OF PREPARING SILYLATIVE-REDUCED N-HETEROCYCLIC COMPOUND USING ORGANOBORON CATALYST | INSTITUTE FOR BASIC SCIENCE (KR) | 2016-05-19 | — | — | WO | disclosed |