Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9724156 | 0.81 | HSD17B10 (0.65) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL13933160 | 0.81 | NPC1 (0.81) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL13933196 | 0.79 | KMT2A (0.67) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL31563569 | 0.78 | HTT (0.59) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL20258222 | 0.78 | HTT (0.59) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL276094 | 0.77 | NPC1 (0.76) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL29475421 | 0.77 | NPC1 (0.76) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL13412884 | 0.77 | MEN1 (0.65) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL29355013 | 0.77 | NPC1 (0.76) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 | |
| SCHEMBL31475470 | 0.75 | HSD17B10 (0.58) | HSD17B10SMN1; SMN2MEN1KMT2ANPC1 |
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 2 patents. 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 |
| EP-0318225-A2 | 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |