Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | DNA2 | P51530 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | APEX1 | P27695 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9279173 | 0.91 | CDK2 (0.52) | CDK2TSHRPOLBDNA2CASP6 | |
| SCHEMBL9080086 | 0.84 | KMT2A (0.46) | TSHRALDH1A1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL3894592 | 0.80 | TSHR (0.48) | CDK2TSHRPOLBDNA2CASP6 | |
| SCHEMBL9077610 | 0.80 | ALDH1A1 (0.44) | CDK2POLBALDH1A1MEN1KMT2A | |
| SCHEMBL9041814 | 0.78 | NR4A1 (0.51) | POLBALDH1A1MEN1KMT2AGPR35 | |
| SCHEMBL9078669 | 0.78 | MAPT (0.40) | CDK2TSHRPOLBALDH1A1MEN1 | |
| SCHEMBL9077636 | 0.75 | CDK2 (0.47) | CDK2TSHRPOLBCASP6ALDH1A1 | |
| SCHEMBL2870921 | 0.75 | TSHR (0.62) | CDK2TSHRPOLBDNA2CASP6 | |
| SCHEMBL9219060 | 0.74 | KDM4E (0.45) | CASP6ALDH1A1MAPTSMN1; SMN2TDP1 | |
| SCHEMBL3895684 | 0.74 | CLTC (0.46) | TSHRPOLBCASP6ALDH1A1AKR1C4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |
| WO-1995000490-A1 | BIS-IMIDE POLYCYCLIC AND HETEROCYCLIC CHROMOPHORES USEFUL AS TUMORICIDALS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-01-05 | — | — | WO | disclosed |