Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.60 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 5/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29364005 | 0.84 | ACHE (1.00) | ACHELMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL3455527 | 0.79 | ACHE (0.89) | ACHELMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11016624 | 0.78 | HTR1A (0.55) | — | |
| SCHEMBL769680 | 0.76 | SMN1; SMN2 (0.71) | ACHELMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL13531591 | 0.76 | ALDH1A1 (1.00) | ACHELMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL20816052 | 0.76 | ALDH1A1 (1.00) | ACHELMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL16384130 | 0.73 | ACHE (0.78) | ACHELMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11992516 | 0.73 | ACHE (0.69) | ACHELMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL770678 | 0.72 | ALDH1A1 (0.71) | ACHELMNASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL15186919 | 0.72 | ALDH1A1 (0.73) | ACHELMNASMN1; SMN2ALDH1A1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0765866-B1 | Preparation of optically active (S)-(-) and (R)-(+)- deoxyspergualin and novel intermediates thereof | BRISTOL MYERS SQUIBB CO (US) | 2000-12-06 | — | — | EP | disclosed |
| EP-0765866-A2 | Preparation of optically active (S)-(-) and (R)-(+)- deoxyspergualin and novel intermediates thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-04-02 | — | — | EP | disclosed |