Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13049949 | 0.85 | NAPRT (0.48) | NAPRTALDH1A1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL13235872 | 0.81 | NAPRT (0.44) | NAPRTALDH1A1BRD4CYP3A4CYP2D6 | |
| SCHEMBL27672314 | 0.79 | LMNA (0.48) | NAPRTALDH1A1CYP3A4CYP2D6DGAT1 | |
| SCHEMBL890206 | 0.77 | ALDH1A1 (0.41) | NAPRTALDH1A1BRD4CYP3A4CYP2D6 | |
| SCHEMBL594241 | 0.76 | ADRB2 (0.52) | NAPRTCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL19943572 | 0.76 | CYP3A4 (0.45) | NAPRTALDH1A1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL31247543 | 0.76 | ADRB2 (0.52) | NAPRTCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL4092765 | 0.76 | ADRB2 (0.52) | NAPRTCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL31086606 | 0.76 | ADRB2 (0.52) | NAPRTCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL14211414 | 0.76 | ADRB2 (0.52) | NAPRTCYP3A4CYP2D6SLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0691331-B1 | Process for the preparation of n-acylated 2-chloro-5-aminomethyl-pyridines | BAYER AG (DE) | 2001-10-10 | — | — | EP | disclosed |
| US-5580983-A | Process for the preparation of N-acylated 2-chloro-5-aminomethylpyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-03 | — | — | US | disclosed |
| EP-0691331-A1 | Process for the preparation of n-acylated 2-chloro-5-aminomethyl-pyridines | BAYER AG (DE) | 1996-01-10 | — | — | EP | disclosed |