Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | JUN | P05412 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14867 | 0.97 | — | — | |
| SCHEMBL28222778 | 0.97 | ALDH1A1 (0.59) | ALDH1A1TSHRMAPTSMN1; SMN2NPC1 | |
| Hydrochloric Acid SCHEMBL220696 | 0.94 | — | — | |
| SCHEMBL9693194 | 0.94 | — | — | |
| SCHEMBL11007081 | 0.94 | — | — | |
| SCHEMBL9405395 | 0.94 | — | — | |
| Charcoal, Activated SCHEMBL6425744 | 0.94 | — | — | |
| Bromide SCHEMBL153411 | 0.94 | — | — | |
| Bromide SCHEMBL3107187 | 0.94 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTSMN1; SMN2NPC1 | |
| SCHEMBL1462870 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4303531-A | VINYLPYRIDINE ION EXCHANGE RESIN | KOEI CHEMICAL CO., LTD. (JP) | 1981-12-01 | — | — | US | disclosed |