Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10543614 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10543020 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL15655149 | 0.91 | ALDH1A1 (0.47) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11378210 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL11244427 | 0.80 | RAB9A (0.47) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL11310324 | 0.79 | TSHR (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL11311236 | 0.75 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2NPC1RAB9AHTT | |
| SCHEMBL11311571 | 0.75 | SLC6A3 (0.39) | NPC1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL11311234 | 0.74 | FFAR4 (0.39) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL699497 | 0.73 | CFTR (0.54) | ALDH1A1MAPK1SMN1; SMN2NPC1RAB9A |
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-4855446-A | Process for the resolution of racemates using lactone esters | THE SHERWIN WILLIAMS COMPANY (US) | 1989-08-08 | — | — | US | disclosed |
| US-4501908-A | 2,3-Isopropylidene ribonic acid, 1,4-lactones | HOFFMANN-LA ROCHE INC. (US) | 1985-02-26 | — | — | US | disclosed |
| EP-0060445-A1 | Process for the resolution of racemates and lactone esters used in said process | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1982-09-22 | — | — | EP | disclosed |