Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.44 |
| ▸ | NPC1 | O15118 | 7/20 | 0.44 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.44 |
| ▸ | TTBK2 | Q6IQ55 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.42 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 9/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4417849 | 0.84 | NPC1 (0.49) | RAB9ANPC1TTBK1TTBK2GSK3B | |
| SCHEMBL4417857 | 0.76 | NPC1 (0.49) | RAB9ANPC1TTBK1TTBK2SMN1; SMN2 | |
| SCHEMBL25042804 | 0.75 | AKR1C3 (0.49) | SMN1; SMN2AKR1C3AKR1C2MAPTNPSR1 | |
| SCHEMBL6829248 | 0.71 | GSK3B (0.64) | GSK3BCHEK1NTRK2FLT3 | |
| SCHEMBL12156663 | 0.70 | NPC1 (0.55) | RAB9ANPC1GSK3BCHEK1NTRK2 | |
| SCHEMBL6906973 | 0.69 | RAB9A (0.60) | RAB9ANPC1SMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL4601715 | 0.67 | SMN1; SMN2 (0.55) | RAB9ANPC1TTBK1TTBK2SMN1; SMN2 | |
| SCHEMBL25684289 | 0.66 | SMN1; SMN2 (0.36) | RAB9ANPC1SMN1; SMN2MAPTHTT | |
| SCHEMBL4514060 | 0.66 | GRM5 (0.57) | RAB9ANPC1SMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL9197367 | 0.65 | ALDH1A1 (0.40) | RAB9ANPC1SMN1; SMN2MAPTHTT |
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-2008016184-A1 | ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |