Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 1/20 | 0.58 |
| ▸ | HEXB | P07686 | 1/20 | 0.58 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.50 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.50 |
| ▸ | PRKAB1 | Q9Y478 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | IKBKB | O14920 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.45 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.45 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.45 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.45 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10776056 | 0.87 | PRKAG1 (0.49) | HEXAHEXBPRKAG1PRKAA1PRKAB1 | |
| SCHEMBL10772902 | 0.85 | PRKAG1 (0.48) | HEXAHEXBPRKAG1PRKAA1PRKAB1 | |
| SCHEMBL14358933 | 0.81 | HEXA (0.65) | HEXAHEXBALDH1A1CYP2D6ATM | |
| SCHEMBL27631954 | 0.75 | DHFR (0.49) | HEXAHEXBADORA3ALDH1A1ATM | |
| SCHEMBL28069481 | 0.75 | ALDH1A1 (0.51) | PRKAG1PRKAA1PRKAB1IKBKBALDH1A1 | |
| SCHEMBL12368248 | 0.74 | HEXA (1.00) | HEXAHEXBALDH1A1CYP2D6KMT2A | |
| SCHEMBL11907360 | 0.74 | ATR (0.70) | ATMMAP4K4CHEK1PRKDCATR | |
| SCHEMBL1644859 | 0.72 | ADORA2A (0.59) | HEXAHEXBALDH1A1KDM4EKMT2A | |
| SCHEMBL5195843 | 0.72 | PTGDR2 (0.52) | PRKAG1PRKAA1PRKAB1ADORA3ALDH1A1 | |
| SCHEMBL12368252 | 0.72 | HEXA (0.78) | HEXAHEXBALDH1A1CYP2D6KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4689328-A | CARBOXY-PYRIMIDINE DERIVATIVES | RESEARCH CORPORATION (US) | 1987-08-25 | — | — | US | disclosed |