Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.32 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.32 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | MCOLN3 | Q8TDD5 | 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 | |
|---|---|---|---|---|
| SCHEMBL3674894 | 0.78 | HCAR3 (0.40) | ALDH1A1CYP3A4KMT2ASMN1; SMN2GAA | |
| SCHEMBL11412314 | 0.67 | NPC1 (0.31) | SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10862329 | 0.66 | KDM4C (0.34) | ALDH1A1CYP3A4SMN1; SMN2GAAKDM4E | |
| SCHEMBL11407962 | 0.63 | ALDH1A1 (0.34) | ALDH1A1MEN1KMT2AGAALMNA | |
| SCHEMBL11149756 | 0.63 | PDE4A (0.38) | ALDH1A1SMN1; SMN2GAAKDM4ENPC1 | |
| SCHEMBL11409591 | 0.61 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ASMN1; SMN2GAA | |
| SCHEMBL11409778 | 0.61 | CYP2D6 (0.38) | ALDH1A1CYP3A4SMN1; SMN2MAPK1HPGD | |
| SCHEMBL3051191 | 0.61 | ALDH1A1 (0.64) | ALDH1A1TP53CYP3A4SMN1; SMN2GAA | |
| SCHEMBL6471269 | 0.60 | HSD17B10 (0.45) | ALDH1A1MEN1KMT2AGAAKDM4E | |
| SCHEMBL11414835 | 0.59 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4199598-A | USE OF 2-AMINO-CYCLOPENT-1-ENE-1-DITHIOCARBOXYLIC ACIDS | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1980-04-22 | — | — | US | claimed |
| US-4199598-A | USE OF 2-AMINO-CYCLOPENT-1-ENE-1-DITHIOCARBOXYLIC ACIDS | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1980-04-22 | — | — | US | disclosed |
| US-4179463-A | ADRENERGIC BLOCKING AGENTS, DOPAMINE-B-HYDROXYLASE INHIBITORS | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 1979-12-18 | — | — | US | disclosed |