Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1979088 | 0.87 | WNT1 (0.51) | CHEK1ACHETLR7DYRK1A | |
| SCHEMBL1981901 | 0.86 | CHEK1 (0.40) | CHEK1ACHEROCK2ROCK1ALDH1A1 | |
| SCHEMBL12598125 | 0.86 | DRD2 (0.48) | MAPTSMN1; SMN2CYP1A2CYP2C19TLR7 | |
| SCHEMBL473769 | 0.85 | CHEK1 (0.45) | TP53MAPTCHEK1ACHELMNA | |
| SCHEMBL1983761 | 0.85 | BRAF (0.47) | TP53MAPTALDH1A1TLR7DYRK1A | |
| SCHEMBL1981803 | 0.84 | MTNR1A (0.45) | ALDH1A1CYP1A2TLR7SMPD1PIM1 | |
| SCHEMBL12597223 | 0.84 | TLR7 (0.42) | ALDH1A1TLR7DYRK1ASMPD1PIM1 | |
| SCHEMBL12597359 | 0.84 | SLC2A1 (0.45) | NEK1TLR7SMPD1PIM1 | |
| SCHEMBL1981315 | 0.83 | PTAFR (0.47) | TP53ALDH1A1TLR7DYRK1ASMPD1 | |
| SCHEMBL12598121 | 0.83 | KDM4E (0.44) | TP53MAPTALDH1A1TLR7DYRK1A |
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-2011070299-A1 | TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | WO | disclosed |