Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | CA12 | O43570 | 4/20 | 0.37 |
| ▸ | CA9 | Q16790 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NCK1 | P16333 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9015179 | 0.85 | KDM4E (0.45) | CYP2A6CYP1A2TDP1ATMKDM4E | |
| SCHEMBL9736974 | 0.80 | CYP1A2 (0.39) | CYP2A6CYP1A2ATMKDM4ECA12 | |
| SCHEMBL17186135 | 0.80 | CYP2A6 (0.39) | CYP2A6ATMKDM4ECA12CA9 | |
| SCHEMBL15768408 | 0.80 | MEN1 (0.46) | CYP1A2TDP1ATMKDM4ECA12 | |
| SCHEMBL9736952 | 0.80 | CYP2A6 (0.39) | CYP2A6CYP1A2ATMKDM4ECA12 | |
| SCHEMBL6229016 | 0.77 | CYP2A6 (0.41) | CYP2A6CYP1A2TDP1ATMKDM4E | |
| SCHEMBL6090040 | 0.77 | ACHE (0.49) | CYP2A6CYP1A2KDM4ECA12CA9 | |
| SCHEMBL9015227 | 0.77 | KDM4E (0.39) | ATMKDM4EALDH1A1MAPT | |
| SCHEMBL10167906 | 0.77 | CYP1A2 (0.50) | CYP2A6CYP1A2TDP1KDM4ECA12 | |
| SCHEMBL9738051 | 0.74 | TSHR (0.46) | TDP1KDM4ECA12CA9ALDH1A1 |
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-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |