Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL376878 | 0.87 | PKM (0.37) | SMN1; SMN2NPC1RAB9ATP53ALDH1A1 | |
| SCHEMBL8649523 | 0.81 | HCAR2 (0.34) | NPC1RAB9ATP53ALDH1A1POLB | |
| SCHEMBL3837299 | 0.75 | SLC13A5 (0.37) | SMN1; SMN2RAB9AALDH1A1MAPTKDM4E | |
| SCHEMBL4372737 | 0.72 | PTPN1 (0.40) | NPC1RAB9AALDH1A1POLBCYP3A4 | |
| SCHEMBL8566221 | 0.71 | AGBL2 (0.38) | KDM4EPKM | |
| SCHEMBL9838667 | 0.71 | BCHE (0.33) | MAPTLMNA | |
| SCHEMBL5676532 | 0.70 | HMGB1 (0.40) | SMN1; SMN2NPC1RAB9AALDH1A1POLB | |
| SCHEMBL5680771 | 0.70 | TRPV1 (0.42) | SMN1; SMN2NPC1RAB9AALDH1A1POLB | |
| SCHEMBL5586993 | 0.70 | PTPN1 (0.42) | ALDH1A1CYP3A4NFKB1 | |
| SCHEMBL8785759 | 0.70 | KDM4E (0.43) | SMN1; SMN2TP53ALDH1A1POLBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0161221-B1 | PROCESS FOR THE PREPARATION OF PYRIDINE-2,3-DICARBOXYLIC-ACID DERIVATIVES AND OF 1-AMINO-1,4-DIHYDROPYRIDINE-2,3-DICARBOXYLIC-ACID DERIVATIVES | CIBA-GEIGY AG (CH) | 1991-07-10 | — | — | EP | disclosed |
| EP-0161221-A2 | Process for the preparation of pyridine-2,3-dicarboxylic-acid derivatives and of 1-amino-1,4-dihydropyridine-2,3-dicarboxylic-acid derivatives | CIBA-GEIGY AG (CH) | 1985-11-13 | — | — | EP | disclosed |