Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 4/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ethane SCHEMBL27952116 | 0.93 | CA2 (0.58) | TSHRTP53CA2CA1LMNA | |
| SCHEMBL5557 | 0.93 | — | — | |
| SCHEMBL27907733 | 0.93 | CA2 (0.56) | TSHRTP53CA2CA1LMNA | |
| Formaldehyde SCHEMBL25358807 | 0.91 | TSHR (0.50) | TSHRTP53CA2CA1LMNA | |
| Benzene SCHEMBL29223410 | 0.90 | CA2 (0.54) | TSHRTP53CA2CA1LMNA | |
| Catechol SCHEMBL29005998 | 0.90 | CA2 (0.54) | TSHRTP53CA2CA1LMNA | |
| Hydrochloric Acid SCHEMBL28889479 | 0.90 | CA2 (0.54) | TSHRTP53CA2CA1LMNA | |
| SCHEMBL28166470 | 0.90 | CA2 (0.54) | TSHRTP53CA2CA1LMNA | |
| Water SCHEMBL27713124 | 0.90 | CA2 (0.54) | TSHRTP53CA2CA1LMNA | |
| SCHEMBL28139278 | 0.90 | CA2 (0.54) | TSHRTP53CA2CA1LMNA |
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-105017060-B | A kind of FCE-26743A novel crystal forms and preparation method thereof | 南京正大天晴制药有限公司 | 2017-06-16 | — | — | CN | disclosed |
| CN-105017060-A | Novel polymorph of safinamide and preparation method therefor | NANJING CHIA TAI TIANQING PHARMACEUTICAL CO LTD | 2015-11-04 | — | — | CN | disclosed |