Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10597893 | 1.00 | CA2 (0.45) | CA2MAPK1SLC1A1SLC1A3SLC1A2 | |
| SCHEMBL8669433 | 0.88 | SLC1A1 (0.47) | CA2MAPK1SLC1A1CHRM1AKR1A1 | |
| SCHEMBL10980193 | 0.84 | CA1 (0.42) | CA2SLC1A1CA1TSHRUSP2 | |
| SCHEMBL3007122 | 0.83 | CA2 (0.38) | CA2MAPK1SLC1A1SLC1A3SLC1A2 | |
| SCHEMBL27514764 | 0.83 | CHRM1 (0.60) | CA2MAPK1SLC1A1SLC1A3SLC1A2 | |
| SCHEMBL9205076 | 0.82 | CA1 (0.55) | CA2CA1TSHRUSP2HSD17B10 | |
| SCHEMBL579960 | 0.82 | CA1 (0.55) | CA2CA1TSHRUSP2HSD17B10 | |
| SCHEMBL10259513 | 0.82 | FOLH1 (0.46) | SLC1A1TDP1TSHRHSD17B10MGAM | |
| SCHEMBL8228378 | 0.80 | CA1 (0.39) | CA2SLC1A1CA1TSHRUSP2 | |
| SCHEMBL1823767 | 0.80 | MGAM (0.46) | CA2MAPK1SLC1A1SLC1A3SLC1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008155619-A2 | PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS | PFIZER INC. (US) | 2008-12-24 | — | — | WO | disclosed |
| WO-2007139856-A2 | HETEROBICYCLIC METALLOPROTEASE INHIBITORS | ALANTOS PHARMACEUTICALS, INC. (US) | 2007-12-06 | — | — | WO | disclosed |