Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | APLNR | P35414 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8722412 | 0.80 | CA12 (0.54) | ALDH1A1NPC1HPGDGAACA12 | |
| SCHEMBL2824504 | 0.80 | CA12 (0.46) | ALDH1A1GAAHTTCA12CA1 | |
| SCHEMBL8932172 | 0.79 | CA12 (0.52) | ALDH1A1NPC1HPGDGAACA12 | |
| SCHEMBL8214372 | 0.77 | CA12 (0.50) | ALDH1A1NPC1HPGDGAAHTT | |
| SCHEMBL8335436 | 0.76 | CA12 (0.48) | ALDH1A1NPC1HPGDGAACA12 | |
| SCHEMBL667942 | 0.74 | CA12 (0.60) | ALDH1A1NPC1HPGDGAAHTT | |
| SCHEMBL31240957 | 0.74 | CA12 (0.60) | ALDH1A1NPC1HPGDGAAHTT | |
| SCHEMBL1834676 | 0.72 | CA12 (0.48) | ALDH1A1NPC1RAB9AHPGDCA12 | |
| SCHEMBL9838572 | 0.72 | CA12 (0.58) | ALDH1A1NPC1HPGDGAAHTT | |
| SCHEMBL18855065 | 0.72 | CA12 (0.58) | ALDH1A1NPC1HPGDGAAHTT |
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-2000009521-A1 | CATALYST COMPOSITIONS AND PROCESS FOR THE PREPARATION OF POLYKETONES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2000-02-24 | — | — | WO | disclosed |