Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | PLK1 | P53350 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1028576 | 0.77 | MEN1 (0.68) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL1040984 | 0.77 | TSHR (0.57) | ALDH1A1MEN1KDM4EMAPTKMT2A | |
| SCHEMBL7086276 | 0.74 | MEN1 (0.39) | ALDH1A1MEN1KDM4EMAPTKMT2A | |
| SCHEMBL11804494 | 0.74 | MAP4K4 (0.54) | ALDH1A1MEN1KDM4EMAPTKMT2A | |
| SCHEMBL1074467 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MEN1KDM4EMAPTKMT2A | |
| SCHEMBL17174081 | 0.73 | MEN1 (0.53) | ALDH1A1MEN1KDM4EMAPTKMT2A | |
| SCHEMBL11182648 | 0.73 | TSHR (0.53) | ALDH1A1MEN1KDM4EMAPTKMT2A | |
| SCHEMBL2627239 | 0.73 | NPC1 (0.49) | ALDH1A1MEN1KDM4EMAPTKMT2A | |
| SCHEMBL13040762 | 0.73 | IDO1 (0.51) | ALDH1A1MEN1MAPTKMT2AHPGD | |
| SCHEMBL27646975 | 0.73 | TSHR (0.66) | ALDH1A1MEN1KDM4EMAPTKMT2A |
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-6211220-B1 | ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS | CELL PATHWAYS, INC. | 2001-04-03 | — | — | US | disclosed |
| WO-1994029277-A1 | AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS | SMITHKLINE BEECHAM PLC (GB) | 1994-12-22 | — | — | WO | disclosed |