Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 2/20 | 0.38 |
| ▸ | LDHB | P07195 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8309614 | 0.84 | KDM4E (0.48) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL21156022 | 0.81 | CYP3A4 (0.42) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL10660689 | 0.80 | KDM4E (0.48) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL27451659 | 0.80 | CYP3A4 (0.45) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL15957633 | 0.78 | KDM4E (0.47) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL27491729 | 0.77 | ALDH1A1 (0.48) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL27640171 | 0.77 | KDM4E (0.46) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL7827698 | 0.77 | KDM4E (0.46) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL598166 | 0.76 | CYP3A4 (0.50) | KDM4ECYP3A4ACHEALDH1A1MAPK1 | |
| SCHEMBL8106142 | 0.75 | CYP3A4 (0.54) | KDM4ECYP3A4ACHEALDH1A1MAPK1 |
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 |