Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL7978412 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MEN1MAPTKDM4EKMT2A | |
| SCHEMBL17873008 | 0.71 | BACE1 (0.42) | ALDH1A1KDM4EMAP4K4BACE1 | |
| SCHEMBL12072247 | 0.68 | ACHE (0.49) | ALDH1A1MEN1MAPTKDM4EKMT2A | |
| SCHEMBL6733442 | 0.67 | MEN1 (0.89) | ALDH1A1MEN1MAPTKDM4EKMT2A | |
| SCHEMBL14389682 | 0.67 | MEN1 (0.70) | ALDH1A1MEN1MAPTKDM4EKMT2A | |
| SCHEMBL25735690 | 0.67 | TSHR (0.68) | ALDH1A1MEN1MAPTKDM4EKMT2A | |
| SCHEMBL15690753 | 0.66 | MEN1 (0.93) | ALDH1A1MEN1MAPTKDM4EKMT2A | |
| SCHEMBL15684033 | 0.66 | MEN1 (0.73) | ALDH1A1MEN1MAPTKDM4EKMT2A | |
| SCHEMBL2261782 | 0.66 | XDH (0.52) | IKBKB | |
| SCHEMBL30165334 | 0.66 | MEN1 (0.57) | ALDH1A1MEN1MAPTKDM4EKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001087845-A2 | N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-11-22 | — | — | WO | disclosed |