Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | RECQL | P46063 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9322101 | 0.94 | MAPK1 (0.67) | MAPK1CES1HSD17B10ACHECA1 | |
| SCHEMBL10628045 | 0.84 | SRD5A2 (0.59) | MAPK1CES1HSD17B10ACHECA1 | |
| SCHEMBL10940236 | 0.77 | CES1 (0.64) | MAPK1CES1HSD17B10ACHECA1 | |
| SCHEMBL21871 | 0.77 | MAPK1 (0.72) | MAPK1CES1HSD17B10ACHECA1 | |
| SCHEMBL10861088 | 0.77 | MAPK1 (0.72) | MAPK1CES1HSD17B10ACHECA1 | |
| SCHEMBL1398000 | 0.77 | CES1 (0.64) | MAPK1CES1HSD17B10ACHECA1 | |
| SCHEMBL17527918 | 0.77 | MAPK1 (0.55) | MAPK1CES1HSD17B10ACHECA1 | |
| SCHEMBL19435749 | 0.77 | MAPK1 (0.59) | MAPK1CES1CA1CA2ALDH1A1 | |
| SCHEMBL31188395 | 0.76 | KMT2A (0.57) | MAPK1ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL27765 | 0.75 | MAPK1 (1.00) | MAPK1CES1CA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5489425-A | RHODIUM COMPLEXES ATTACHED TO ANTIBODY OR FAB FRAGMENTS FOR THERAPY OR MEDICAL DIAGNOSIS; ANTICARCINOGENIC AND -TUMOR AGENTS; RADIOLOGY; IMMUNOLOGY | THE DOW CHEMICAL COMPANY (US) | 1996-02-06 | — | — | US | disclosed |
| US-5284644-A | Anticancer agent; therapy and diagnosis | DOW CHEMICAL COMPANY, THE | 1994-02-08 | — | — | US | disclosed |