Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.73 |
| ▸ | RAB9A | P51151 | 6/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.73 |
| ▸ | MEN1 | O00255 | 4/20 | 0.73 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL14186126 | 0.93 | RAB9A (0.66) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL269482 | 0.85 | NPC1 (1.00) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL17284938 | 0.84 | HSD17B3 (0.54) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL15722840 | 0.84 | ALDH1A1 (0.61) | NPC1RAB9AKMT2AMEN1MAPT | |
| Malonic Acid SCHEMBL29264782 | 0.84 | MEN1 (0.48) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL21784395 | 0.83 | CYP3A4 (0.53) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL13320283 | 0.82 | SMN1; SMN2 (0.52) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL17430618 | 0.82 | SMN1; SMN2 (0.50) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL28972858 | 0.81 | MEN1 (0.53) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL30114975 | 0.81 | MEN1 (0.53) | NPC1RAB9AKMT2AMEN1MAPT |
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-2020044213-A1 | DIPHENYLAMINO-METHYLENE MALONONITRILE BASED COMPOUNDS AS FLUORESCENCE PROBES | UNIVERSITY OF HYDERABAD (IN) | 2020-03-05 | — | — | WO | disclosed |