Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | POLA1 | P09884 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | ST6GAL1 | P15907 | 2/20 | 0.35 |
| ▸ | ST3GAL1 | Q11201 | 2/20 | 0.35 |
| ▸ | ST3GAL3 | Q11203 | 2/20 | 0.35 |
| ▸ | FUT6 | P51993 | 1/20 | 0.35 |
| ▸ | FUT5 | Q11128 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.32 |
| ▸ | F3 | P13726 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9854637 | 0.86 | CYP3A4 (0.67) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL9854641 | 0.86 | CYP3A4 (0.67) | CYP3A4MEN1KMT2APOLA1LMNA | |
| Lagochiline SCHEMBL9854633 | 0.77 | CYP3A4 (1.00) | CYP3A4MEN1KMT2APOLA1LMNA | |
| Lagochiline SCHEMBL14029530 | 0.77 | CYP3A4 (1.00) | CYP3A4MEN1KMT2APOLA1LMNA | |
| Lagochiline SCHEMBL29396320 | 0.77 | CYP3A4 (1.00) | CYP3A4MEN1KMT2APOLA1LMNA | |
| Lagochiline SCHEMBL9854640 | 0.77 | CYP3A4 (1.00) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL9854622 | 0.75 | CYP3A4 (0.71) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL9854627 | 0.69 | CYP3A4 (0.55) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL9854630 | 0.69 | CYP3A4 (0.55) | CYP3A4MEN1KMT2APOLA1LMNA | |
| SCHEMBL20225086 | 0.64 | CYP3A4 (0.40) | CYP3A4MEN1KMT2A |
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-0408749-A1 | DERIVATIVES OF 3,18-DIHYDROXY-9,13-EPOXYLABDANE, METHOD OF OBTAINING THEM AND A HEMOSTATIC PHARMACEUTICAL PREPARATION BASED THEREON | TASHKENTSKY GOSUDARSTVENNY UNIVERSITET IMENI V.I. LENINA (SU) | 1991-01-23 | — | — | EP | disclosed |