Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10695813 | 0.89 | ALDH1A1 (0.49) | ALDH1A1POLBPLAUKDM4ESMN1; SMN2 | |
| SCHEMBL805963 | 0.82 | ALDH1A1 (0.55) | ALDH1A1POLBPLAUKDM4ESMN1; SMN2 | |
| SCHEMBL30285317 | 0.82 | ALDH1A1 (0.55) | ALDH1A1POLBPLAUKDM4ESMN1; SMN2 | |
| SCHEMBL609041 | 0.79 | ALDH1A1 (0.40) | ALDH1A1POLBPLAUKDM4ESMN1; SMN2 | |
| SCHEMBL29427147 | 0.77 | KMT2A (0.48) | ALDH1A1KDM4ESMN1; SMN2MAPTHPGD | |
| SCHEMBL8522 | 0.77 | KMT2A (0.48) | ALDH1A1KDM4ESMN1; SMN2MAPTHPGD | |
| SCHEMBL10758017 | 0.70 | ALDH1A1 (0.41) | ALDH1A1POLBPLAUKDM4ESMN1; SMN2 | |
| SCHEMBL10354380 | 0.70 | ALDH1A1 (0.41) | ALDH1A1POLBPLAUKDM4ESMN1; SMN2 | |
| SCHEMBL9256577 | 0.69 | BACE1 (0.32) | — | |
| SCHEMBL28605251 | 0.69 | TSHR (0.43) | ALDH1A1CYP1A2CYP3A4POLBPLAU |
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-4782161-A | HALOGEN EXCHANGE, ACTIVATED CARBON CATALYST | THE DOW CHEMICAL COMPANY (US) | 1988-11-01 | — | — | US | disclosed |