Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.67 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.67 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | CA12 | O43570 | 3/20 | 0.56 |
| ▸ | CA1 | P00915 | 3/20 | 0.56 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 3/20 | 0.56 |
| ▸ | MMP2 | P08253 | 2/20 | 0.55 |
| ▸ | MMP9 | P14780 | 2/20 | 0.55 |
| ▸ | MMP12 | P39900 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16124458 | 0.81 | PCNA (0.74) | EGFRERBB2HTTMMP2MMP9 | |
| SCHEMBL31023859 | 0.81 | LMNA (0.51) | EGFRERBB2HTTCA2NPC1 | |
| SCHEMBL21887555 | 0.79 | PDE4B (0.46) | EGFRERBB2SMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL17127746 | 0.79 | EGFR (0.68) | EGFRERBB2HTTSMN1; SMN2LMNA | |
| SCHEMBL29988927 | 0.79 | ALDH1A1 (0.61) | HTTCA12CA1CA2CA9 | |
| SCHEMBL16446138 | 0.79 | MEN1 (0.57) | EGFRERBB2CA12CA1CA2 | |
| SCHEMBL3369060 | 0.79 | HTT (0.76) | EGFRERBB2HTTSMN1; SMN2NPC1 | |
| SCHEMBL10684986 | 0.79 | HTT (0.76) | EGFRERBB2HTTSMN1; SMN2NPC1 | |
| SCHEMBL2494898 | 0.77 | HTT (0.73) | EGFRERBB2HTTCA12CA1 | |
| SCHEMBL3369054 | 0.77 | HTT (0.73) | EGFRERBB2HTTSMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118369325-A | Therapeutic compounds for HIV virus infection | 吉利德科学公司 | 2024-07-19 | — | — | CN | disclosed |
| WO-2002020487-A1 | SUBSTITUTED 1-ARYL-PYRIDIN-2-(THI)ONES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |