Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | UGT2B7 | P16662 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6683507 | 0.85 | CYP2D6 (0.41) | CYP2D6MGAMGAASIMGAM2 | |
| SCHEMBL6680226 | 0.82 | TSHR (0.42) | MGAMGAASIMGAM2ALDH1A1 | |
| SCHEMBL7628833 | 0.79 | LMNA (0.36) | CYP2D6ALDH1A1TSHRCYP3A4LMNA | |
| SCHEMBL25249782 | 0.79 | CYP2D6 (0.46) | CYP2D6MGAMGAASIMGAM2 | |
| SCHEMBL15534191 | 0.79 | MGAM (0.44) | CYP2D6MGAMGAASIMGAM2 | |
| SCHEMBL25251873 | 0.77 | CYP2D6 (0.44) | CYP2D6MGAMGAASIMGAM2 | |
| SCHEMBL21821549 | 0.77 | MGAM (0.43) | CYP2D6MGAMGAASIMGAM2 | |
| SCHEMBL10990788 | 0.77 | UGT2B7 (0.45) | CYP2D6MGAMGAASIMGAM2 | |
| SCHEMBL16877152 | 0.76 | ALDH1A1 (0.37) | ALDH1A1ALOX15TDP1 | |
| SCHEMBL334982 | 0.76 | CYP2D6 (0.42) | CYP2D6MGAMGAASIMGAM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0847974-B1 | Process for the preparation of cyclopropylacetylene and its derivatives | KURARAY CO (JP) | 2002-06-05 | — | — | EP | disclosed |
| US-5955627-A | Process for the preparation of cyclopropylacetylene derivatives | KURARAY CO., LTD. (JP) | 1999-09-21 | — | — | US | disclosed |
| EP-0847974-A1 | Process for the preparation of cyclopropylacetylene and its derivatives | KURARAY CO., LTD. (JP) | 1998-06-17 | — | — | EP | disclosed |