Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30884128 | 0.79 | CYP3A4 (0.43) | THRBMAOAMAOBCD44MEN1 | |
| SCHEMBL135806 | 0.79 | CYP3A4 (0.43) | THRBMAOAMAOBCD44MEN1 | |
| SCHEMBL11077250 | 0.75 | CYP3A4 (0.40) | THRBMAOAMAOBCD44MEN1 | |
| Bromide SCHEMBL18245441 | 0.75 | CYP3A4 (0.40) | THRBMAOAMAOBCD44MEN1 | |
| SCHEMBL11075941 | 0.75 | CYP3A4 (0.40) | THRBMAOAMAOBCD44MEN1 | |
| Hydrochloric Acid SCHEMBL1198227 | 0.75 | CYP3A4 (0.40) | THRBMAOAMAOBCD44MEN1 | |
| Hydrochloric Acid SCHEMBL3410713 | 0.75 | CYP3A4 (0.40) | THRBMAOAMAOBCD44MEN1 | |
| Hydrochloric Acid SCHEMBL11412075 | 0.75 | CYP3A4 (0.40) | THRBMAOAMAOBCD44MEN1 | |
| SCHEMBL11075931 | 0.75 | CYP3A4 (0.40) | THRBMAOAMAOBCD44MEN1 | |
| Water SCHEMBL28530113 | 0.75 | CYP3A4 (0.40) | THRBMAOAMAOBCD44MEN1 |
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-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |