Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27645357 | 0.71 | TDP1 (0.46) | ALDH1A1TDP1L3MBTL1TSHRPOLB | |
| SCHEMBL6267389 | 0.70 | TSHR (0.50) | ALDH1A1TDP1L3MBTL1TSHRPOLB | |
| SCHEMBL15399512 | 0.70 | PHGDH (0.50) | ALDH1A1TSHRMAPTHTTKMT2A | |
| SCHEMBL8723486 | 0.69 | KMT2A (0.53) | ALDH1A1TDP1L3MBTL1TSHRPOLB | |
| SCHEMBL11240709 | 0.69 | TSHR (0.48) | ALDH1A1TDP1L3MBTL1TSHRPOLB | |
| SCHEMBL2200339 | 0.68 | NPSR1 (0.38) | ALDH1A1L3MBTL1TSHRHTTKMT2A | |
| SCHEMBL28761251 | 0.67 | TSHR (0.46) | ALDH1A1TDP1L3MBTL1TSHRPOLB | |
| Ethylene SCHEMBL28318847 | 0.67 | TSHR (0.46) | ALDH1A1TDP1L3MBTL1TSHRPOLB | |
| SCHEMBL7675958 | 0.67 | SMN1; SMN2 (0.47) | ALDH1A1TSHRMAPTHSD17B10HTT | |
| SCHEMBL14120401 | 0.67 | NOS1 (0.33) | — |
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-4234594-A | Pyrazolyl amino imidazolines as antihypertensive agents | ABBOTT LABORATORIES (US) | 1980-11-18 | — | — | US | disclosed |
| US-4226773-A | Pyrazolyl amino imidazolines as diuretic agents | ABBOTT LABORATORIES (US) | 1980-10-07 | — | — | US | disclosed |
| US-4171367-A | ANTIINFLAMMATORY | ABBOTT LABORATORIES (US) | 1979-10-16 | — | — | US | disclosed |