Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | MMP14 | P50281 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ANPEP | P15144 | 2/20 | 0.40 |
| ▸ | ERAP1 | Q9NZ08 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4799370 | 0.84 | MMP2 (0.55) | TSHRDPP4MMP2MMP9MMP12 | |
| SCHEMBL2820904 | 0.79 | TSHR (0.49) | TSHRDPP4MMP2MMP9MMP12 | |
| SCHEMBL14968476 | 0.79 | TSHR (0.49) | TSHRDPP4MMP2MMP9MMP12 | |
| Acetic Acid SCHEMBL7279901 | 0.79 | TSHR (0.58) | TSHRDPP4MMP2MMP9MMP12 | |
| SCHEMBL14402642 | 0.79 | TSHR (0.49) | TSHRDPP4MMP2MMP9MMP12 | |
| SCHEMBL24859266 | 0.77 | TSHR (0.51) | TSHRDPP4MMP2MMP9MMP12 | |
| SCHEMBL10076985 | 0.77 | TSHR (0.51) | TSHRDPP4MMP2MMP9MMP12 | |
| SCHEMBL18063343 | 0.77 | TDP1 (0.51) | TSHRDPP4MMP2MMP9MMP12 | |
| SCHEMBL108799 | 0.76 | DPP4 (0.49) | TSHRDPP4MMP2MMP9MMP12 | |
| SCHEMBL2921490 | 0.76 | TRPA1 (0.53) | TSHRDPP4MMP2MMP9MMP12 |
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-5157167-A | Organoboron reagents for the preparation of unsubstituted propargylic alcohols | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-10-20 | — | — | US | disclosed |