Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL2595504 | 0.77 | PDK1 (0.38) | ALDH1A1TDP1MAPTPKMHPGD | |
| SCHEMBL2595343 | 0.76 | PDK1 (0.38) | ALDH1A1TDP1MAPTPKMHPGD | |
| SCHEMBL2589672 | 0.76 | MAPT (0.42) | ALDH1A1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL2589678 | 0.76 | MAPT (0.42) | ALDH1A1RAB9ASMN1; SMN2MAPTHPGD | |
| SCHEMBL13011542 | 0.71 | TP53 (0.53) | ALDH1A1MAPTTAS1R3TAS1R1 | |
| SCHEMBL234644 | 0.71 | TP53 (0.53) | ALDH1A1MAPTTAS1R3TAS1R1 | |
| SCHEMBL28405577 | 0.71 | TP53 (0.53) | ALDH1A1MAPTTAS1R3TAS1R1 | |
| SCHEMBL6900183 | 0.71 | TP53 (0.53) | ALDH1A1MAPTTAS1R3TAS1R1 | |
| SCHEMBL10812447 | 0.71 | MAPT (0.65) | ALDH1A1MAPTPKM | |
| SCHEMBL29302277 | 0.71 | GPR88 (0.41) | ALDH1A1RAB9ASMN1; SMN2MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2569319-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F.HOFFMANN-LA ROCHE AG (CH) | 2013-03-20 | — | — | EP | disclosed |
| WO-2011141396-A1 | HETEROARYL-CYCLOHEXYL-TETRAAZABENZO[E]AZULENES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-17 | — | — | WO | disclosed |