Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.31 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849211 | 0.87 | L3MBTL1 (0.38) | HDAC6HDAC1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL17849189 | 0.85 | RAB9A (0.45) | TP53SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL16726665 | 0.83 | ALDH2 (0.33) | KMT2A | |
| SCHEMBL17849190 | 0.83 | LTA4H (0.33) | GRM2ALDH1A1LMNA | |
| SCHEMBL16623450 | 0.82 | NPC1 (0.32) | MAPTLMNA | |
| SCHEMBL17849193 | 0.81 | F10 (0.43) | TP53MAPTSMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL16623587 | 0.80 | ROCK1 (0.39) | HDAC6HDAC1HDAC8MAPTSMN1; SMN2 | |
| SCHEMBL17849220 | 0.79 | MT-CO2 (0.35) | HDAC6 | |
| SCHEMBL17849217 | 0.78 | DGAT1 (0.33) | MAPTALDH1A1KMT2A | |
| SCHEMBL17849212 | 0.78 | ITGB3 (0.37) | LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |