Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | ERN1 | O75460 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | XDH | P47989 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| 2-Nitrobenzaldehyde SCHEMBL5654 | 0.84 | ERN1 (0.66) | MAPTNPSR1ERN1ALDH1A1TDP1 | |
| 2-Nitrobenzaldehyde SCHEMBL29672618 | 0.84 | ERN1 (0.66) | MAPTNPSR1ERN1ALDH1A1TDP1 | |
| 2-Nitrobenzaldehyde SCHEMBL9010354 | 0.83 | ERN1 (0.46) | MAPTNPSR1ERN1CYP19A1ALDH1A1 | |
| SCHEMBL28115828 | 0.83 | ERN1 (0.50) | MAPTNPSR1ERN1CYP19A1ALDH1A1 | |
| 2-Nitrobenzaldehyde SCHEMBL28121927 | 0.83 | ERN1 (0.65) | MAPTNPSR1ERN1CYP19A1ALDH1A1 | |
| 2-Nitrobenzaldehyde SCHEMBL3323403 | 0.83 | ERN1 (0.59) | MAPTNPSR1ERN1CYP19A1ALDH1A1 | |
| 2-Nitrobenzaldehyde SCHEMBL28865451 | 0.82 | ERN1 (0.63) | MAPTNPSR1ERN1TDP1XDH | |
| 2-Nitrobenzaldehyde SCHEMBL9323445 | 0.82 | ERN1 (0.63) | MAPTNPSR1ERN1ALDH1A1TDP1 | |
| 2-Nitrobenzaldehyde SCHEMBL28981617 | 0.82 | ERN1 (0.63) | MAPTNPSR1ERN1CYP19A1ALDH1A1 | |
| 2-Nitrobenzaldehyde SCHEMBL27794898 | 0.82 | ERN1 (0.63) | MAPTNPSR1ERN1ALDH1A1TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5808084-A | Process for the preparation of 1,4-dihydropyridinedicarboxylic esters | PFIZER, INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-4633007-A | Preparation of benzylidene compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1986-12-30 | — | — | US | disclosed |