Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | MGAM | O43451 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL841536 | 0.87 | ALDH1A1 (0.61) | HSD17B10ALDH1A1HPGDALOX15MGAM | |
| Hydrochloric Acid SCHEMBL27619882 | 0.86 | ALDH1A1 (0.59) | HSD17B10ALDH1A1HPGDALOX15MGAM | |
| SCHEMBL163181 | 0.82 | ALDH1A1 (0.46) | HSD17B10ALDH1A1HPGDALOX15MGAM | |
| Hydrochloric Acid SCHEMBL27739681 | 0.81 | ALDH1A1 (0.44) | HSD17B10ALDH1A1HPGDALOX15MGAM | |
| Quinoline SCHEMBL14720516 | 0.81 | ALDH1A1 (0.61) | HSD17B10ALDH1A1ALOX15MGAMMAPT | |
| SCHEMBL28149208 | 0.81 | ALOX15 (0.50) | HSD17B10ALDH1A1HPGDALOX15MGAM | |
| Quinoxaline SCHEMBL11668022 | 0.81 | MAPT (0.67) | HSD17B10ALDH1A1HPGDMAPTKDM4E | |
| Benzamide SCHEMBL27821964 | 0.79 | KMT2A (0.77) | HSD17B10ALDH1A1ALOX15MGAMMAPT | |
| Niacinamide SCHEMBL28205782 | 0.79 | ALDH1A1 (0.65) | HSD17B10ALDH1A1HPGDALOX15MAPT | |
| Trifluoroacetic Acid SCHEMBL4118989 | 0.77 | ALDH1A1 (0.41) | HSD17B10ALDH1A1HPGDALOX15MAPT |
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-101952287-B | Protein kinase inhibitors and use thereof | MERCK SERONO SA | 2013-11-27 | — | — | CN | disclosed |
| CN-101952287-A | Kinases inhibitor and application thereof | MERCK SERONO SA | 2011-01-19 | — | — | CN | disclosed |