Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28209584 | 0.81 | CYP3A4 (0.50) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| Styrene SCHEMBL9763502 | 0.79 | CYP3A4 (0.51) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| Acrylamide SCHEMBL11762286 | 0.78 | RAB9A (0.50) | ALDH1A1TSHRHSD17B10MAPTHPGD | |
| SCHEMBL88871 | 0.78 | CHRNB2 (0.54) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL2485042 | 0.76 | CYP3A4 (0.45) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| Carbamic Acid SCHEMBL3015687 | 0.75 | MAPT (0.48) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| SCHEMBL29564 | 0.75 | — | — | |
| SCHEMBL2485044 | 0.75 | CYP3A4 (0.47) | CYP3A4ALDH1A1TSHRHSD17B10MAPT | |
| Acrylic Acid SCHEMBL27823123 | 0.75 | RAB9A (0.47) | ALDH1A1TSHRHSD17B10MAPTHPGD | |
| SCHEMBL4557752 | 0.74 | CYP3A4 (0.50) | CYP3A4ALDH1A1TSHRHSD17B10MAPT |
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-5290440-A | Aromatic amide immobilized on support or forming part of a mobile phase | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1994-03-01 | — | — | US | disclosed |