Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CTSC | P53634 | 1/20 | 0.36 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 3/20 | 0.35 |
| ▸ | MMP2 | P08253 | 2/20 | 0.35 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MMP14 | P50281 | 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 | |
|---|---|---|---|---|
| SCHEMBL9984914 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL9984420 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL12023790 | 0.89 | MAPT (0.36) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL9983715 | 0.88 | ALDH1A1 (0.39) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL12024277 | 0.88 | ALDH1A1 (0.39) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL12024360 | 0.88 | ALDH1A1 (0.39) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL13053338 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL13053343 | 0.80 | ALDH1A1 (0.43) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL15229601 | 0.78 | TDP1 (0.42) | ALDH1A1CTSVCTSLCTSBCTSS | |
| SCHEMBL6239837 | 0.74 | CRBN (0.39) | ALDH1A1MAPTLMNACACNA1FCYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011151348-A1 | HETEROCYCLIC AMINO ACIDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-12-08 | — | — | WO | disclosed |
| WO-2011151348-A1 | HETEROCYCLIC AMINO ACIDS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2011-12-08 | — | — | WO | disclosed |
| EP-2392568-A1 | Heterocyclic amino acids for prostate cancer imaging | Bayer Pharma Aktiengesellschaft (DE) | 2011-12-07 | — | — | EP | disclosed |
| EP-2392568-A1 | Heterocyclic amino acids for prostate cancer imaging | Bayer Pharma Aktiengesellschaft (DE) | 2011-12-07 | — | — | EP | disclosed |