Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 6/20 | 0.34 |
| ▸ | MERTK | Q12866 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.33 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | MELK | Q14680 | 1/20 | 0.32 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10845316 | 0.83 | CHRM3 (0.34) | MEN1KMT2A | |
| SCHEMBL10846302 | 0.80 | CHRM3 (0.34) | MEN1KMT2A | |
| SCHEMBL6152856 | 0.73 | BRD4 (0.57) | BRD4GBA1KDM1AMERTKMELK | |
| SCHEMBL27798160 | 0.68 | BRD4 (0.46) | BRD4KDM1A | |
| SCHEMBL1181466 | 0.67 | BRD4 (0.55) | BRD4KDM1AKMT2ACYP2D6 | |
| SCHEMBL27326515 | 0.66 | BRD4 (0.46) | BRD4KDM1A | |
| Hydrochloric Acid SCHEMBL28784813 | 0.66 | BRD4 (0.54) | BRD4KDM1AKMT2ACYP2D6 | |
| SCHEMBL27490726 | 0.64 | GBA1 (0.49) | GBA1KDM1ACYP2D6MELK | |
| Hydrochloric Acid SCHEMBL29957620 | 0.63 | BRD4 (0.51) | BRD4KDM1A | |
| SCHEMBL10417634 | 0.63 | BRD4 (0.43) | BRD4KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4605744-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1986-08-12 | — | — | US | disclosed |
| US-4537969-A | AZOLE-SUBSTITUTED SATURATED HETEROCYCLIC CARBOXALDEHYDE ACETALS;INTERMEDIATES FOR 6-AMIDINOPENICILLINS | HOFFMANN-LA ROCHE INC. (US) | 1985-08-27 | — | — | US | disclosed |
| EP-0148283-A1 | Novel penicillanic acid derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1985-07-17 | — | — | EP | disclosed |
| US-4431653-A | ANTIBIOTICS; BACTERICIDES; SSYNERGISTIC WITH AMINO ACID DERIVATIVE | HOFFMANN-LA ROCHE INC. (US) | 1984-02-14 | — | — | US | disclosed |