Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.42 |
| ▸ | ADCY2 | Q08462 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | FADS1 | O60427 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11689500 | 0.88 | EPHX1 (0.48) | MDM2NPC1EPHX1FADS1 | |
| SCHEMBL9729085 | 0.88 | LMNA (0.47) | MDM2RAB9ATSHRSMN1; SMN2CHRNA7 | |
| SCHEMBL10523982 | 0.88 | LMNA (0.47) | MDM2RAB9ATSHRSMN1; SMN2CHRNA7 | |
| SCHEMBL4388071 | 0.81 | TSHR (0.48) | MDM2RAB9ATSHRSMN1; SMN2EPHX1 | |
| SCHEMBL6307296 | 0.81 | EPHX1 (0.53) | TSHREPHX1FADS1 | |
| SCHEMBL4388070 | 0.81 | TSHR (0.48) | MDM2RAB9ATSHRSMN1; SMN2EPHX1 | |
| SCHEMBL30064748 | 0.78 | EPHX1 (0.40) | MDM2TP53TSHREPHX1 | |
| SCHEMBL35226 | 0.77 | — | — | |
| SCHEMBL7024646 | 0.77 | — | — | |
| SCHEMBL5776485 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0047057-A2 | Triazole compounds, a process for preparing them, their use as plant fungicides and fungicidal compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-03-10 | — | — | EP | disclosed |