Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.52 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PYGM | P11217 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6349430 | 0.83 | AKR1C2 (0.75) | SMPD1AKR1C2AKR1C1NR1H4TSHR | |
| SCHEMBL6817692 | 0.76 | NR4A2 (0.63) | SMPD1AKR1C2AKR1C1NR1H4NPC1 | |
| SCHEMBL6817166 | 0.75 | MAOB (0.59) | SMPD1AKR1C2AKR1C1NR1H4HTT | |
| SCHEMBL202923 | 0.74 | PARP1 (0.63) | SMPD1SLC2A1ALDH1A1KMT2AMAPT | |
| SCHEMBL6349641 | 0.73 | PLK1 (0.60) | AKR1C2AKR1C1NPSR1PKMMEN1 | |
| SCHEMBL15820015 | 0.70 | TP53 (0.67) | SMPD1NR1H4NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL3630514 | 0.70 | NR1H4 (0.59) | SMPD1NR1H4HTTNPC1RAB9A | |
| SCHEMBL7104144 | 0.70 | NPC1 (0.53) | TSHRNPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL15826402 | 0.70 | KMT2A (0.60) | NR1H4PKMHTTNPC1RAB9A | |
| SCHEMBL6816406 | 0.69 | SMPD1 (0.45) | SMPD1NR1H4PKMHTTSLC2A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004018414-A2 | ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | claimed |