Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27446682 | 0.80 | TSHR (0.53) | ALDH1A1TDP1SMN1; SMN2TSHR | |
| SCHEMBL27634125 | 0.80 | ALDH1A1 (0.60) | ALDH1A1TDP1MEN1KMT2ALMNA | |
| SCHEMBL2630913 | 0.79 | ERN1 (0.45) | ERN1ALDH1A1TDP1MAPTKDM4E | |
| Fluoride SCHEMBL27378143 | 0.79 | TSHR (0.51) | ALDH1A1TDP1SMN1; SMN2TSHR | |
| SCHEMBL3476385 | 0.79 | HTR2A (0.41) | ALDH1A1TDP1MEN1KMT2ALMNA | |
| SCHEMBL16241188 | 0.79 | GPR35 (0.51) | ALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL9417632 | 0.78 | ERN1 (0.57) | ERN1ALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL7219340 | 0.77 | HPGD (0.41) | ALDH1A1TDP1LMNASMN1; SMN2NPC1 | |
| SCHEMBL29118204 | 0.77 | ERN1 (0.46) | ERN1ALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL31588310 | 0.77 | LMNA (0.52) | ALDH1A1TDP1MEN1KMT2ALMNA |
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-0949226-B1 | Process for the preparation of acetylene derivatives | MITSUI CHEMICALS INC (JP) | 2002-07-17 | — | — | EP | disclosed |
| US-6127583-A | Process for preparing acetylene derivative from a ketone compound | MITSUI CHEMICALS, INC. (JP) | 2000-10-03 | — | — | US | disclosed |
| EP-0949226-A1 | Process for the preparation of acetylene derivatives | Mitsui Chemicals, Inc. (JP) | 1999-10-13 | — | — | EP | disclosed |