Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21189912 | 0.91 | MAOB (0.40) | ALDH1A1LMNANPC1RAB9APOLB | |
| SCHEMBL21189959 | 0.91 | MAOB (0.40) | ALDH1A1LMNANPC1RAB9APOLB | |
| SCHEMBL21190098 | 0.85 | LMNA (0.36) | ALDH1A1MAPTLMNAKMT2ARAB9A | |
| SCHEMBL21190121 | 0.85 | LMNA (0.36) | ALDH1A1MAPTLMNAKMT2ARAB9A | |
| SCHEMBL21190016 | 0.84 | LTA4H (0.46) | ALDH1A1MAPTLMNAHTTRAB9A | |
| SCHEMBL21189913 | 0.84 | LTA4H (0.46) | ALDH1A1MAPTLMNAHTTRAB9A | |
| SCHEMBL19786067 | 0.84 | HPGD (0.40) | ALDH1A1MAPTMEN1KMT2AHTT | |
| SCHEMBL21189958 | 0.80 | CYP2C19 (0.37) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL21190164 | 0.80 | CYP2C19 (0.37) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL21189954 | 0.78 | ALOX5 (0.35) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 |
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-2018012947-A1 | NOVEL ORGANIC SULFUR COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER OR AN INFLAMMATORY DISEASE, CONTAINING SAME AS ACTIVE INGREDIENT | 숙명여자대학교 산학협력단 | 2018-01-18 | — | — | WO | disclosed |