Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | AGXT | P21549 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7346729 | 0.81 | ALDH1A1 (0.61) | ALDH1A1PKMCHRM2IDO1NPC1 | |
| SCHEMBL121529 | 0.81 | CHRM2 (0.70) | ALDH1A1PKMCHRM2IDO1GAA | |
| SCHEMBL8278372 | 0.79 | IDO1 (0.60) | ALDH1A1PKMCHRM2IDO1NPC1 | |
| Hydrochloric Acid SCHEMBL9479560 | 0.79 | CHRM2 (0.68) | ALDH1A1PKMCHRM2RAB9AGAA | |
| Hydrochloric Acid SCHEMBL2147064 | 0.79 | CHRM2 (0.68) | ALDH1A1PKMCHRM2RAB9AGAA | |
| SCHEMBL9831 | 0.79 | ALDH1A1 (0.59) | ALDH1A1PKMCHRM2IDO1NPC1 | |
| Hydrochloric Acid SCHEMBL7034100 | 0.79 | ALDH1A1 (0.59) | ALDH1A1PKMCHRM2IDO1NPC1 | |
| SCHEMBL6896486 | 0.78 | SMN1; SMN2 (0.58) | ALDH1A1MAPTKMT2AGAAHTT | |
| SCHEMBL366364 | 0.77 | ALDH1A1 (0.57) | ALDH1A1PKMCHRM2IDO1NPC1 | |
| SCHEMBL6076678 | 0.77 | ALDH1A1 (0.57) | ALDH1A1PKMCHRM2IDO1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |