Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17849200 | 0.87 | CYP2A13 (0.39) | RAB9ALMNANPC1SMN1; SMN2TP53 | |
| SCHEMBL17849190 | 0.86 | LTA4H (0.33) | RAB9ALMNAALDH1A1NTRK1 | |
| SCHEMBL17849203 | 0.85 | ROCK1 (0.40) | RAB9ANPC1ALDH1A1NTRK1HPGD | |
| SCHEMBL17849208 | 0.85 | HDAC6 (0.33) | LMNASMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL17849211 | 0.84 | L3MBTL1 (0.38) | RAB9ASMN1; SMN2ALDH1A1NTRK1HRH3 | |
| SCHEMBL17849202 | 0.83 | SMN1; SMN2 (0.44) | RAB9ALMNANPC1SMN1; SMN2TP53 | |
| SCHEMBL16726665 | 0.82 | ALDH2 (0.33) | — | |
| SCHEMBL16623450 | 0.81 | NPC1 (0.32) | LMNANPC1 | |
| SCHEMBL17849217 | 0.80 | DGAT1 (0.33) | ALDH1A1NTRK1KDM4E | |
| SCHEMBL17849197 | 0.79 | ALDH1A1 (0.38) | RAB9ALMNANPC1SMN1; SMN2TP53 |
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 |