Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | THRB | P10828 | 3/20 | 0.54 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12130713 | 0.84 | ABCB1 (0.53) | ALDH1A1HTTTP53MAPTTHRB | |
| SCHEMBL7503034 | 0.79 | RAB9A (0.52) | ALDH1A1HTTTP53MAPTTHRB | |
| SCHEMBL7500095 | 0.79 | HPGD (0.50) | ALDH1A1HTTTP53MAPTTHRB | |
| SCHEMBL11099701 | 0.76 | KMT2A (0.63) | ALDH1A1HTTTP53MAPTTHRB | |
| SCHEMBL12130614 | 0.74 | ALDH1A1 (0.54) | ALDH1A1HTTTP53MAPTTHRB | |
| SCHEMBL7603643 | 0.74 | ESR1 (0.55) | — | |
| SCHEMBL7603606 | 0.74 | ESR1 (0.55) | — | |
| SCHEMBL11268572 | 0.74 | ABCB1 (0.67) | ALDH1A1HTTTP53MAPTTHRB | |
| SCHEMBL6731066 | 0.73 | SIGMAR1 (0.43) | ALDH1A1MAPTKMT2APOLBSMN1; SMN2 | |
| SCHEMBL1986255 | 0.73 | MAPT (0.36) | ALDH1A1HTTTP53MAPTTHRB |
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-4361573-A | α,α-Diaryl-β-(tert-amino)-propanols and diuretic pharmaceutical compositions containing them | TEMMLER AG (CH) | 1982-11-30 | — | — | US | disclosed |
| US-4025633-A | DIURETICS, SALURETICS | FIRMA TEMMLER A.G. (CH) | 1977-05-24 | — | — | US | disclosed |