Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | PDE2A | O00408 | 1/20 | 0.51 |
| ▸ | CACNA1H | O95180 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 3/20 | 0.48 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.48 |
| ▸ | NSD2 | O96028 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | CPS1 | P31327 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17400779 | 0.85 | CACNA1H (0.49) | KMT2AALDH1A1TSHRMEN1KDM4E | |
| SCHEMBL17400776 | 0.82 | MEN1 (0.48) | TP53KMT2AMEN1CACNA1HMTOR | |
| SCHEMBL7878696 | 0.81 | MEN1 (0.55) | KMT2AALDH1A1TSHRMEN1KDM4E | |
| SCHEMBL10194872 | 0.79 | L3MBTL3 (0.65) | TP53KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL7878686 | 0.77 | CPS1 (0.60) | ALDH1A1TSHRKDM4EHPGDPDE2A | |
| SCHEMBL15651904 | 0.76 | ALDH1A1 (0.48) | KMT2AALDH1A1TSHRMEN1KDM4E | |
| SCHEMBL12205464 | 0.76 | CPS1 (0.58) | KMT2AALDH1A1TSHRMEN1HPGD | |
| SCHEMBL17888368 | 0.76 | L3MBTL3 (0.68) | TP53KMT2AALDH1A1MEN1KDM4E | |
| SCHEMBL20460504 | 0.75 | HPGD (0.59) | TP53KMT2AALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7877653 | 0.75 | CYP46A1 (0.61) | ALDH1A1TSHRSMN1; SMN2KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010122069-A1 | 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |