Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5002752 | 1.00 | CYP2A6 (0.58) | CYP2A6IMPDH2PARP1HSD17B10NAPRT | |
| SCHEMBL27819612 | 0.85 | PARP1 (0.42) | CYP2A6PARP1HSD17B10NAPRTALDH1A1 | |
| SCHEMBL5008074 | 0.83 | CYP2A6 (0.58) | CYP2A6IMPDH2ALDH1A1MEN1MAPT | |
| SCHEMBL29950881 | 0.81 | NR4A2 (0.57) | CYP2A6IMPDH2HSD17B10ALDH1A1MAPT | |
| SCHEMBL4775501 | 0.81 | NR4A2 (0.57) | CYP2A6IMPDH2HSD17B10ALDH1A1MAPT | |
| SCHEMBL27988710 | 0.79 | CYP2A6 (0.50) | CYP2A6IMPDH2ALDH1A1MEN1MAPT | |
| SCHEMBL29952428 | 0.78 | CYP2A6 (0.70) | CYP2A6IMPDH2ALDH1A1MEN1MAPT | |
| SCHEMBL23248787 | 0.78 | BACE1 (0.44) | PARP1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL23248789 | 0.78 | BACE1 (0.44) | PARP1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL7428444 | 0.78 | ALDH1A1 (0.50) | CYP2A6IMPDH2ALDH1A1MAPTKMT2A |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |