Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.59 |
| ▸ | HTT | P42858 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | PKM | P14618 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.48 |
| ▸ | CES1 | P23141 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1107500 | 0.91 | ALDH1A1 (0.70) | ALDH1A1HTTNPSR1LMNAHPGD | |
| Water SCHEMBL10349979 | 0.89 | ALDH1A1 (0.67) | ALDH1A1HTTNPSR1LMNAHPGD | |
| SCHEMBL222221 | 0.79 | ALDH1A1 (0.74) | ALDH1A1HTTNPSR1LMNAHPGD | |
| SCHEMBL8922721 | 0.77 | ALDH1A1 (0.52) | ALDH1A1HTTNPSR1LMNAHPGD | |
| Water SCHEMBL11592745 | 0.77 | ALDH1A1 (0.70) | ALDH1A1HTTNPSR1LMNAHPGD | |
| Water SCHEMBL11592742 | 0.77 | ALDH1A1 (0.70) | ALDH1A1HTTNPSR1LMNAHPGD | |
| P-Xylene SCHEMBL28670186 | 0.76 | ACHE (0.57) | ALDH1A1HTTNPSR1LMNAHPGD | |
| SCHEMBL28984937 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HTTNPSR1LMNAHPGD | |
| SCHEMBL25031353 | 0.74 | ALDH1A1 (0.54) | ALDH1A1HTTNPSR1LMNAHPGD | |
| SCHEMBL7701991 | 0.73 | ALDH1A1 (0.70) | ALDH1A1HTTNPSR1LMNAHPGD |
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-4162319-A | ANTHELMINTICS, PSYCHOTROPIC, CNS, HYPOGLYCOMIC AGENTS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-07-24 | — | — | US | disclosed |
| US-4120961-A | ANTIHELMINTICS, CNS ACITVITY | E. MERCK (DE) | 1978-10-17 | — | — | US | disclosed |
| US-4051243-A | RING SUBSTITUTED PYRAZINO-ISOQUINOLINE DERIVATIVES AND THEIR PREPARATION | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-09-27 | — | — | US | disclosed |