Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14218921 | 0.79 | TDP1 (0.54) | TDP1SMN1; SMN2ALOX15CYP3A4THRB | |
| SCHEMBL7262816 | 0.79 | TDP1 (0.54) | TDP1SMN1; SMN2ALOX15CYP3A4THRB | |
| SCHEMBL28043737 | 0.77 | TDP1 (0.52) | TDP1SMN1; SMN2ALOX15CYP3A4THRB | |
| SCHEMBL19724286 | 0.77 | SMN1; SMN2 (0.52) | TDP1SMN1; SMN2ALOX15CYP3A4THRB | |
| SCHEMBL5685568 | 0.76 | RAPGEF4 (0.56) | TDP1SMN1; SMN2TP53ALDH1A1HDAC6 | |
| SCHEMBL12824304 | 0.76 | TDP1 (0.50) | TDP1SMN1; SMN2ALOX15CYP3A4THRB | |
| SCHEMBL2722710 | 0.74 | ALDH1A1 (0.56) | TDP1SMN1; SMN2ALOX15CYP3A4THRB | |
| SCHEMBL3634659 | 0.74 | TDP1 (0.48) | TDP1SMN1; SMN2ALOX15CYP3A4THRB | |
| SCHEMBL10249294 | 0.74 | SMN1; SMN2 (0.48) | TDP1SMN1; SMN2ALOX15CYP3A4THRB | |
| SCHEMBL14465374 | 0.74 | TDP1 (0.48) | TDP1SMN1; SMN2ALOX15CYP3A4THRB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102807568-B | Thiadiazoles derivative class DPP-IV inhibitor | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2015-11-25 | — | — | CN | disclosed |