Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21996385 | 0.78 | TSHR (0.38) | MEN1KMT2ATSHRCYP1A2CYP2C19 | |
| SCHEMBL7355592 | 0.73 | ALDH1A1 (0.63) | ALDH1A1MAPK1LMNAL3MBTL1KDM4E | |
| SCHEMBL6975654 | 0.72 | MAPT (0.40) | ALDH1A1LMNATDP1MEN1KMT2A | |
| SCHEMBL20631940 | 0.71 | TSHR (0.38) | ALDH1A1LMNAKDM4EMEN1KMT2A | |
| SCHEMBL19912955 | 0.71 | ALDH1A1 (0.58) | ALDH1A1MAPK1LMNAL3MBTL1KDM4E | |
| SCHEMBL10030999 | 0.71 | ALDH1A1 (0.58) | ALDH1A1MAPK1LMNAL3MBTL1KDM4E | |
| SCHEMBL10374312 | 0.71 | ALDH1A1 (0.50) | ALDH1A1MAPK1LMNAL3MBTL1TDP1 | |
| SCHEMBL29217267 | 0.70 | NPC1 (0.48) | ALDH1A1MAPK1LMNAL3MBTL1MEN1 | |
| SCHEMBL7297906 | 0.70 | ALDH1A1 (0.56) | ALDH1A1MAPK1LMNAL3MBTL1KDM4E | |
| Succinic Acid SCHEMBL29551144 | 0.70 | ALDH1A1 (0.58) | ALDH1A1MAPK1LMNAL3MBTL1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3887353-A1 | PANTETHEINE DERIVATIVES AND USES THEREOF | Comet Therapeutics, Inc. (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020113209-A1 | PANTETHEINE DERIVATIVES AND USES THEREOF | COMET THERAPEUTICS, INC. (US) | 2020-06-04 | — | — | WO | disclosed |