Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.55 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14938480 | 1.00 | ALDH1A1 (0.65) | ALDH1A1GAACYP2C19CYP1A2HPGD | |
| SCHEMBL14938474 | 0.86 | SMN1; SMN2 (0.70) | ALDH1A1GAACYP1A2HPGDNPC1 | |
| SCHEMBL14938473 | 0.86 | SMN1; SMN2 (0.70) | ALDH1A1GAACYP1A2HPGDNPC1 | |
| SCHEMBL4111704 | 0.86 | CYP1A2 (0.68) | ALDH1A1GAACYP2C19CYP1A2HPGD | |
| SCHEMBL4111701 | 0.86 | CYP1A2 (0.68) | ALDH1A1GAACYP2C19CYP1A2HPGD | |
| SCHEMBL14938438 | 0.85 | RAB9A (0.63) | ALDH1A1GAACYP2C19CYP1A2NPC1 | |
| SCHEMBL14938440 | 0.85 | RAB9A (0.63) | ALDH1A1GAACYP2C19CYP1A2NPC1 | |
| SCHEMBL17560868 | 0.84 | NPC1 (0.67) | ALDH1A1GAACYP2C19CYP1A2HPGD | |
| SCHEMBL19449718 | 0.84 | NPC1 (0.67) | ALDH1A1GAACYP2C19CYP1A2HPGD | |
| SCHEMBL1573371 | 0.83 | KDM4E (0.67) | ALDH1A1GAACYP2C19CYP1A2HPGD |
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-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |