Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 3/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | WNT1 | P04628 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5858399 | 0.80 | EPHX1 (0.53) | MEN1KMT2APSMB5SMN1; SMN2HSD17B10 | |
| SCHEMBL7929143 | 0.77 | CHRNB2 (0.39) | HTR1ADRD2DRD4KCNH2ALDH1A1 | |
| SCHEMBL13451484 | 0.77 | GNAI3 (0.51) | MEN1NPC1ALDH1A1TP53ALOX15 | |
| SCHEMBL22231128 | 0.77 | CTH (0.40) | HTR1ADRD2DRD4KCNH2KMT2A | |
| SCHEMBL31139892 | 0.77 | GNAI3 (0.51) | MEN1NPC1ALDH1A1TP53ALOX15 | |
| SCHEMBL23733300 | 0.76 | KCNH2 (0.39) | HTR1ADRD2DRD4KCNH2KMT2A | |
| SCHEMBL2576718 | 0.76 | MTNR1A (0.46) | MEN1NPC1ALDH1A1TP53ALOX15 | |
| SCHEMBL2576721 | 0.76 | MTNR1A (0.46) | MEN1NPC1ALDH1A1TP53ALOX15 | |
| SCHEMBL2369715 | 0.76 | HTR1A (0.39) | HTR1ADRD2DRD4KCNH2MEN1 | |
| SCHEMBL28271183 | 0.75 | KCNH2 (0.43) | HTR1ADRD2DRD4KCNH2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020033784-A1 | TRANSGLUTAMINASE 2 (TG2) INHIBITORS | SITARI PHARMA, INC. (US) | 2020-02-13 | — | — | WO | disclosed |