Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.46 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.46 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.46 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.46 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.46 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6867356 | 0.82 | MEN1 (0.68) | ALDH1A1MEN1MAPTKMT2AKDM4E | |
| Hydrochloric Acid SCHEMBL6208799 | 0.81 | TACR1 (0.52) | TACR1BACE1BACE2MEN1MAPT | |
| SCHEMBL19301048 | 0.81 | TACR1 (0.56) | TACR1BACE1BACE2MEN1MAPT | |
| SCHEMBL714137 | 0.81 | HDAC1 (0.63) | BACE1BACE2ALDH1A1KDM4EHDAC1 | |
| SCHEMBL13753363 | 0.80 | TACR1 (0.58) | TACR1BACE1BACE2ALDH1A1MEN1 | |
| SCHEMBL12471510 | 0.80 | TACR1 (0.58) | TACR1BACE1BACE2MEN1MAPT | |
| SCHEMBL2484345 | 0.80 | IDO1 (0.48) | TACR1IDO1CES2RXRARXRB | |
| SCHEMBL6865708 | 0.79 | CES2 (0.52) | TACR1MAPTIDO1CES2LMNA | |
| Hydrochloric Acid SCHEMBL3143821 | 0.78 | IDO1 (0.50) | TACR1IDO1CES2RXRARXRB | |
| Hydrochloric Acid SCHEMBL3152131 | 0.78 | IDO1 (0.50) | TACR1IDO1CES2RXRARXRB |
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 |
|---|---|---|---|---|---|---|---|
| US-5710161-A | Triazole derivatives and their use as therapeutic agents | MERCK, SHARP & DOHME, LTD. (GB) | 1998-01-20 | — | — | US | disclosed |