Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 3/20 | 0.31 |
| ▸ | NOS2 | P35228 | 3/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7113474 | 1.00 | MEN1 (0.34) | MEN1KMT2AATMTYMPALDH1A1 | |
| SCHEMBL7115865 | 0.98 | MEN1 (0.32) | MEN1KMT2AATMTYMPALDH1A1 | |
| SCHEMBL7115089 | 0.88 | MEN1 (0.33) | MEN1KMT2AATMALDH1A1PKM | |
| SCHEMBL7112428 | 0.72 | — | — | |
| SCHEMBL17008157 | 0.61 | TSHR (0.57) | MEN1KMT2ATYMPALDH1A1KCNH2 | |
| SCHEMBL5679424 | 0.58 | TSHR (0.50) | TYMPALDH1A1HPGDKCNH2 | |
| SCHEMBL31054446 | 0.55 | KCNH2 (0.50) | ALDH1A1PKMHPGDKCNH2 | |
| Heptane SCHEMBL28068174 | 0.55 | TSHR (0.67) | MEN1KMT2AALDH1A1 | |
| Decane SCHEMBL6888790 | 0.55 | TSHR (0.67) | MEN1KMT2AALDH1A1 | |
| Heptane SCHEMBL28189697 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1357193-A1 | Preparation of pyrazines | SOCIETE DES PRODUITS NESTLE S.A. (CH) | 2003-10-29 | — | — | EP | disclosed |