Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 3/20 | 0.51 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.51 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.51 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 5/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4886752 | 1.00 | S1PR1 (0.51) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| Cyanide SCHEMBL30330584 | 0.94 | S1PR1 (0.48) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| SCHEMBL27363212 | 0.94 | S1PR1 (0.53) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| Fluoride SCHEMBL30212964 | 0.92 | S1PR1 (0.51) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| Bromide SCHEMBL28038350 | 0.92 | S1PR1 (0.51) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| Acetic Acid SCHEMBL30331105 | 0.89 | S1PR1 (0.51) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| Cyanide SCHEMBL30331603 | 0.88 | S1PR1 (0.49) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| SCHEMBL3742375 | 0.88 | S1PR1 (0.59) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| SCHEMBL30538435 | 0.88 | S1PR1 (0.56) | S1PR1S1PR3S1PR5S1PR4ALDH1A1 | |
| SCHEMBL7023481 | 0.88 | S1PR1 (0.60) | S1PR1S1PR3S1PR5S1PR4CYP1A2 |
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-2023086383-A1 | SELECT KRAS G12C INHIBITORS AND USES THEREOF | 1200 PHARMA LLC (US) | 2023-05-19 | — | — | WO | disclosed |