Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR7 | P34969 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL860986 | 0.78 | SMN1; SMN2 (0.45) | CYP1A2KDM4EALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL27627609 | 0.75 | ABHD6 (0.34) | KDM4E | |
| SCHEMBL28758652 | 0.74 | CYP1A2 (0.41) | CYP1A2KDM4EALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL856329 | 0.70 | PTK2 (0.47) | CYP1A2KDM4EALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL3238492 | 0.69 | SMN1; SMN2 (0.45) | CYP1A2KDM4EALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL11991745 | 0.67 | CNR2 (0.47) | KDM4EADRB2 | |
| SCHEMBL19012355 | 0.67 | HRH4 (0.46) | CYP1A2KDM4EALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL24190079 | 0.66 | CYP1A2 (0.47) | CYP1A2KDM4EALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL1432175 | 0.65 | ADRB2 (0.59) | SMN1; SMN2ADRB2 | |
| SCHEMBL29676150 | 0.65 | NPC1 (0.44) | KDM4EALDH1A1PARP1HRH4HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100439359-C | Indolylmaleimide derivatives | NOVARTIS AG (CH) | 2008-12-03 | — | — | CN | disclosed |
| CN-1742005-A | Indolylmaleimide derivatives | NOVARTIS AG (CH) | 2006-03-01 | — | — | CN | disclosed |