Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NQO2 | P16083 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11112448 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAASMN1; SMN2MAPT | |
| SCHEMBL11109787 | 0.82 | PARP1 (0.53) | ALDH1A1TAAR1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL11107774 | 0.81 | NR1I2 (0.57) | ALDH1A1TAAR1SMN1; SMN2 | |
| SCHEMBL11112436 | 0.73 | MAOB (0.59) | ALDH1A1KDM4EGAAMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL15973431 | 0.71 | KDM4E (0.47) | ALDH1A1KDM4EGAASMN1; SMN2MAPT | |
| SCHEMBL11107739 | 0.70 | GAA (0.55) | ALDH1A1TAAR1GAASMN1; SMN2MAPT | |
| SCHEMBL11110902 | 0.70 | MAPT (0.49) | ALDH1A1TAAR1GAAMAPTMEN1 | |
| SCHEMBL11113858 | 0.70 | CYP19A1 (0.40) | ALDH1A1TAAR1 | |
| SCHEMBL14369822 | 0.70 | SERPINE1 (0.47) | ALDH1A1KDM4EGAASMN1; SMN2MAPT | |
| SCHEMBL16961200 | 0.69 | ALDH1A1 (0.48) | ALDH1A1KDM4EGAASMN1; SMN2NQO2 |
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-4454158-A | Allyl amine MAO inhibitors | MERRELL TORAUDE ET COMPAGNIE (FR) | 1984-06-12 | — | — | US | disclosed |