Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.63 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | ACACB | O00763 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | CNR1 | P21554 | 2/20 | 0.53 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.52 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.52 |
| ▸ | GPR139 | Q6DWJ6 | 4/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15918472 | 0.85 | CNR1 (0.68) | ALDH1A1KMT2AMEN1GAAACACB | |
| SCHEMBL29151019 | 0.85 | ALDH1A1 (0.65) | ALDH1A1KMT2AMEN1GAAACACB | |
| SCHEMBL23122976 | 0.84 | ALDH1A1 (0.68) | ALDH1A1HTTKMT2AMEN1GAA | |
| SCHEMBL2464936 | 0.84 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1GAAACACB | |
| SCHEMBL2464938 | 0.84 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1GAAACACB | |
| SCHEMBL23122978 | 0.84 | ALDH1A1 (0.68) | ALDH1A1HTTKMT2AMEN1GAA | |
| SCHEMBL7714868 | 0.84 | ALDH1A1 (0.63) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL13683332 | 0.84 | ALDH1A1 (0.63) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL4774977 | 0.83 | CNR2 (0.47) | ALDH1A1LMNASMN1; SMN2HTTKMT2A | |
| SCHEMBL3713691 | 0.83 | HTT (0.57) | ALDH1A1LMNASMN1; SMN2HTTKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116438167-A | Compounds having O-GlcNAc enzyme inhibitory activity and uses thereof | 美迪福伦DBT有限公司 | 2023-07-14 | — | — | CN | disclosed |
| CN-113264978-B | Novel molecular targeting anti-tumor aza steroid derivative based on lipotoxicity and preparation method and application thereof | 重庆医科大学 | 2023-01-31 | — | — | CN | disclosed |
| CN-113264978-A | Novel molecular targeting anti-tumor aza steroid derivative based on lipotoxicity, preparation and application thereof | 重庆医科大学 | 2021-08-17 | — | — | CN | disclosed |
| CN-106957279-B | (S) -N- (1-phenethyl) thioacetamide compound, medicinal composition and application thereof | 复旦大学 | 2021-01-22 | — | — | CN | disclosed |
| CN-106957279-A | (S)-N- (1- phenethyls) thioacetyl amine compounds and its Pharmaceutical composition and its application | 复旦大学 | 2017-07-18 | — | — | CN | disclosed |
| US-7511043-B2 | FXR modulators | AMGEN INC. (US) | 2009-03-31 | — | — | US | disclosed |
| US-7511043-B2 | FXR modulators | AMGEN INC. (US) | 2009-03-31 | — | — | US | disclosed |