Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 6/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3976528 | 0.76 | GABRA1 (0.50) | GAATSHRLMNAALDH1A1POLB | |
| SCHEMBL5447670 | 0.75 | ALDH1A1 (0.52) | GAASMN1; SMN2CHRM2CHRM1TSHR | |
| SCHEMBL9322403 | 0.75 | CHRM2 (0.49) | GAACHRM2CHRM1TSHRLMNA | |
| SCHEMBL7224481 | 0.74 | GAA (1.00) | GAASMN1; SMN2TSHRLMNAALDH1A1 | |
| SCHEMBL7704915 | 0.73 | TACR1 (0.61) | SMN1; SMN2CHRM2CHRM1LMNAALDH1A1 | |
| SCHEMBL681679 | 0.72 | ALDH1A1 (0.56) | GAASMN1; SMN2CHRM2CHRM1TSHR | |
| SCHEMBL31074064 | 0.71 | TSHR (0.53) | GAASMN1; SMN2TSHRLMNAALDH1A1 | |
| SCHEMBL10858287 | 0.71 | TSHR (0.53) | GAASMN1; SMN2TSHRLMNAALDH1A1 | |
| SCHEMBL6479504 | 0.71 | TSHR (0.64) | GAASMN1; SMN2CHRM2CHRM1TSHR | |
| SCHEMBL6479978 | 0.71 | TSHR (0.64) | GAASMN1; SMN2CHRM2CHRM1TSHR |
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-1242399-A1 | $g(a)-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB S.A. (BE) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046167-A1 | α-ARYLETHYLPIPERAZINE DERIVATIVES AS NEUROKININ ANTAGONISTS | UCB, S.A. (BE) | 2001-06-28 | — | — | WO | disclosed |