Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CPA3 | P15088 | 1/20 | 0.47 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.46 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27985511 | 1.00 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL4063595 | 1.00 | CYP2D6 (0.48) | CYP2D6ALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL11822261 | 0.89 | FFAR1 (0.50) | CYP2D6ALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL27587412 | 0.88 | HDAC3 (0.47) | CYP2D6ALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL7319044 | 0.86 | TBXAS1 (0.53) | CYP2D6ALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL23757780 | 0.84 | ALDH1A1 (0.47) | CYP2D6ALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL3674189 | 0.80 | CYP2D6 (0.54) | CYP2D6ALDH1A1CYP2C19CYP1A2TSHR | |
| SCHEMBL23570862 | 0.80 | CA12 (0.48) | ALDH1A1TSHRKDM4EPOLBHSD17B10 | |
| SCHEMBL16426389 | 0.80 | CA12 (0.48) | ALDH1A1TSHRKDM4EPOLBHSD17B10 | |
| SCHEMBL7390419 | 0.78 | GABBR2 (0.53) | CYP2D6CYP2C19CPA3MAPK1SRC |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104159595-A | Peptidomimetic macrocycles | AILERON THERAPEUTICS INC | 2014-11-19 | — | — | CN | disclosed |
| CN-104144695-A | Triazole-and thioether-crosslinked peptidomimetic macrocycles | AILERON THERAPEUTICS INC | 2014-11-12 | — | — | CN | disclosed |
| CN-104039342-A | Peptidomimetic macrocycles | AILERON THERAPEUTICS INC | 2014-09-10 | — | — | CN | disclosed |
| CN-1512983-A | Compounds and compositions as cathepsins inhibitors | AXYSҩ�﹫˾ | 2004-07-14 | — | — | CN | disclosed |