Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 2/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 3-Hydroxybenzaldehyde SCHEMBL7798346 | 0.90 | POLB (0.41) | CCNB2CDK1CDK4CCNB1CCND1 | |
| 3-Hydroxybenzaldehyde SCHEMBL8039117 | 0.86 | KYNU (0.40) | CCNB2CDK1CDK4CCNB1CCND1 | |
| 3-Hydroxybenzaldehyde SCHEMBL8039109 | 0.86 | KYNU (0.40) | CCNB2CDK1CDK4CCNB1CCND1 | |
| Resorcinol SCHEMBL11576045 | 0.82 | CA12 (0.52) | POLBTDP1ALDH1A1 | |
| 3-Hydroxybenzaldehyde SCHEMBL2208434 | 0.81 | OPRM1 (0.43) | CCNB2CDK1CDK4CCNB1CCND1 | |
| Lysine SCHEMBL8037280 | 0.81 | GSR (0.43) | POLBKMT2ATDP1 | |
| Lysine SCHEMBL8037277 | 0.81 | GSR (0.43) | POLBKMT2ATDP1 | |
| Cyclohexylamine SCHEMBL7798072 | 0.81 | ALDH1A1 (0.46) | POLBKMT2ATDP1FBP1ALDH1A1 | |
| Cyclohexylamine SCHEMBL7800151 | 0.81 | ALDH1A1 (0.65) | POLBMEN1KMT2AALDH1A1 | |
| Cyclohexylamine SCHEMBL7800228 | 0.81 | TP53 (0.45) | GAAMEN1KMT2AFBP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |