Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3063886 | 0.84 | ESR1 (0.62) | ELANETSHRTDP1L3MBTL1ESR1 | |
| SCHEMBL730122 | 0.84 | TSHR (0.56) | ELANETSHRTDP1L3MBTL1LMNA | |
| SCHEMBL727948 | 0.84 | ELANE (0.52) | ELANETSHRTDP1L3MBTL1ESR1 | |
| SCHEMBL27800285 | 0.83 | TSHR (0.54) | ELANETSHRTDP1L3MBTL1LMNA | |
| SCHEMBL17473094 | 0.83 | TSHR (0.50) | ELANETSHRTDP1L3MBTL1ESR1 | |
| SCHEMBL1789234 | 0.83 | FAAH (0.56) | ELANETSHRTDP1L3MBTL1ESR1 | |
| SCHEMBL17473138 | 0.81 | THRB (0.57) | ELANETSHRTDP1L3MBTL1LMNA | |
| SCHEMBL3798714 | 0.81 | TSHR (0.61) | TSHRTDP1ESR1LMNACYP1A2 | |
| SCHEMBL17473164 | 0.81 | THRB (0.56) | ELANETSHRTDP1L3MBTL1LMNA | |
| SCHEMBL17473064 | 0.81 | ELANE (0.50) | ELANETSHRTDP1L3MBTL1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7264749-B2 | Alkyne compounds | BASF AKTIENGESELLSCHAFT (DE) | 2007-09-04 | — | — | US | disclosed |
| US-7264749-B2 | Alkyne compounds | BASF AKTIENGESELLSCHAFT (DE) | 2007-09-04 | — | — | US | disclosed |