Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.46 |
| ▸ | MEN1 | O00255 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29803308 | 1.00 | MAOB (0.49) | MAOBLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL24670571 | 0.79 | KMT2A (0.59) | MAOBLMNAKMT2AMEN1MAPT | |
| SCHEMBL29803551 | 0.79 | KMT2A (0.59) | MAOBLMNAKMT2AMEN1MAPT | |
| SCHEMBL24670477 | 0.79 | GRM4 (0.60) | LMNAALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL29803203 | 0.79 | GRM4 (0.60) | LMNAALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL24669338 | 0.76 | MAOB (0.70) | MAOBLMNAKMT2AMEN1MAPT | |
| SCHEMBL29803408 | 0.76 | MAOB (0.70) | MAOBLMNAKMT2AMEN1MAPT | |
| SCHEMBL2727876 | 0.76 | ALDH1A1 (0.51) | MAOBLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL24669366 | 0.75 | KMT2A (0.51) | MAOBLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL29803460 | 0.75 | KMT2A (0.51) | MAOBLMNAALDH1A1KMT2AMEN1 |
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-2022192162-A1 | NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2022-09-15 | — | — | WO | disclosed |