Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7816354 | 0.81 | SMN1; SMN2 (0.47) | ALDH1A1MAPTSMN1; SMN2POLBMEN1 | |
| SCHEMBL7847690 | 0.78 | LMNA (0.40) | ALDH1A1MAPTSMN1; SMN2HSD17B10POLB | |
| SCHEMBL8891542 | 0.78 | ALDH1A1 (0.34) | ALDH1A1MAPTCYP2C19ESR1CYP3A4 | |
| SCHEMBL14360769 | 0.76 | HDAC3 (0.50) | ALDH1A1MAPTHDAC3MAPK1ADRA1A | |
| SCHEMBL7569647 | 0.76 | HDAC3 (0.50) | ALDH1A1MAPTHDAC3MAPK1ADRA1A | |
| SCHEMBL7848935 | 0.75 | ALDH1A1 (0.34) | ALDH1A1MAPTCYP2D6TSHR | |
| SCHEMBL7471238 | 0.74 | KCNA3 (0.46) | ALDH1A1MAPTESR1MAPK1SMN1; SMN2 | |
| SCHEMBL1923867 | 0.74 | OPRM1 (0.54) | CYP2D6 | |
| SCHEMBL11075302 | 0.74 | CYP2C19 (0.40) | ALDH1A1MAPTCYP2C19HIF1AESR1 | |
| SCHEMBL11823800 | 0.72 | CYP2C19 (0.39) | ALDH1A1MAPTCYP2C19HIF1AESR1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1219294-A1 | MELANIN CONCENTRATING HORMONE ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-03 | — | — | EP | disclosed |
| EP-0712845-B1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-10-17 | — | — | EP | disclosed |
| WO-1997024325-A1 | DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-10 | — | — | WO | disclosed |
| US-5633248-A | GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS, DIARYLALKYLIDENEDIAMINES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-05-27 | — | — | US | disclosed |
| EP-0712845-A1 | Amine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-22 | — | — | EP | disclosed |