Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL8490703 | 0.86 | SMN1; SMN2 (0.43) | NPSR1POLBGAAALDH1A1KDM4E | |
| SCHEMBL9253194 | 0.76 | LMNA (0.43) | SMN1; SMN2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL9248248 | 0.75 | ALDH1A1 (0.45) | NPSR1POLBGAAALDH1A1KDM4E | |
| SCHEMBL9697181 | 0.75 | SMN1; SMN2 (0.43) | NPSR1POLBGAAALDH1A1KDM4E | |
| SCHEMBL9245910 | 0.72 | POLB (0.45) | NPSR1POLBGAAALDH1A1KDM4E | |
| SCHEMBL9221651 | 0.71 | TYMS (0.43) | POLBALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL8488725 | 0.71 | MAPT (0.38) | POLBGAAALDH1A1KDM4EHPGD | |
| SCHEMBL10431211 | 0.71 | HDAC6 (0.46) | NPSR1POLBGAAALDH1A1HPGD | |
| SCHEMBL9515641 | 0.71 | POLB (0.41) | NPSR1POLBGAAALDH1A1KDM4E | |
| SCHEMBL8488726 | 0.71 | ALDH1A1 (0.37) | GAAALDH1A1KDM4EHPGDHSD17B10 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5187167-A | Antitumor agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-02-16 | — | — | US | disclosed |
| US-5081124-A | Amino acid and polyamino acid derivatives, inhibitors of thymidylate synthetase | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-01-14 | — | — | US | disclosed |
| EP-0239362-B1 | ANTI-TUMOR AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-12-04 | — | — | EP | disclosed |
| US-4992550-A | Thymidylate synthetase inhibitors | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-02-12 | — | — | US | disclosed |
| EP-0239362-A2 | Anti-tumor agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-09-30 | — | — | EP | disclosed |