Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CA12 | O43570 | 4/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA7 | P43166 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | G6PD | P11413 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.47 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL30195450 | 0.76 | PTPN11 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL1681296 | 0.76 | CA12 (0.54) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL12954623 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL27446615 | 0.76 | ALDH1A1 (0.54) | ALDH1A1CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL27404685 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL25258585 | 0.73 | PTPN11 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL5794346 | 0.73 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7985663 | 0.73 | PTPN11 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL31046806 | 0.73 | PTPN11 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL21722620 | 0.71 | KDM4E (0.48) | ALDH1A1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0686144-B1 | NEW COMPOUNDS | UNIV MARYLAND (US) | 2000-04-19 | — | — | EP | disclosed |
| EP-0686145-B1 | NEW COMPOUNDS | UNIV MARYLAND (US) | 2000-01-26 | — | — | EP | disclosed |
| EP-0643686-A1 | NEW COMPOUNDS | Astra Aktiebolag (SE) | 1995-03-22 | — | — | EP | disclosed |
| WO-1993005012-A1 | NEW COMPOUNDS | AB ASTRA (SE) | 1993-03-18 | — | — | WO | disclosed |