Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | CCR6 | P51684 | 1/20 | 0.53 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17913039 | 0.93 | MEN1 (0.56) | ALDH1A1CA12CA9GPR55MEN1 | |
| SCHEMBL17913038 | 0.93 | FAAH (0.55) | ALDH1A1CA12CA9GPR55MEN1 | |
| SCHEMBL17913097 | 0.91 | PPIA (0.59) | ALDH1A1GPR55MEN1KMT2AMAPT | |
| SCHEMBL17913070 | 0.91 | PPIA (0.59) | ALDH1A1GPR55MEN1KMT2AMAPT | |
| SCHEMBL17913095 | 0.91 | ALDH1A1 (0.56) | ALDH1A1CA12CA9GPR55MEN1 | |
| SCHEMBL17913088 | 0.86 | PPIA (0.64) | ALDH1A1MEN1KMT2AMAPTLMNA | |
| SCHEMBL17913096 | 0.85 | MAPT (0.51) | ALDH1A1CA12CA9GPR55MEN1 | |
| SCHEMBL17913091 | 0.85 | TDP1 (0.67) | ALDH1A1CA12CA9MEN1KMT2A | |
| SCHEMBL17913048 | 0.83 | ALOX12 (0.67) | ALDH1A1CA12CA9MEN1KMT2A | |
| SCHEMBL17913072 | 0.81 | PPIA (0.58) | ALDH1A1MEN1KMT2AMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | claimed |
| WO-2016111658-A1 | SYNTHESIS OF THIOSEMICARBAZONE DERIVATIVES COMPRISING SULPHONAMIDE GROUP WITH POTENTIAL ANTICONVULSANT ACTIVITY | IYIDOGAN AYSEGUL (TR) | 2016-07-14 | — | — | WO | disclosed |