Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | MAPT | P10636 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.47 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24512696 | 0.83 | ALDH1A1 (0.46) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL14050309 | 0.81 | NR4A1 (0.38) | ALDH1A1SMN1; SMN2POLBLMNAKDM4E | |
| SCHEMBL1890586 | 0.77 | NOS3 (0.57) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29788816 | 0.77 | NOS3 (0.57) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL6385450 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5745528 | 0.74 | — | — | |
| SCHEMBL29953193 | 0.74 | — | — | |
| SCHEMBL573928 | 0.74 | MAOA (0.53) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL178024 | 0.74 | ALDH1A1 (0.55) | ALDH1A1MAPTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1208300 | 0.73 | CCR1 (0.55) | ALDH1A1MAPTMAPK1LMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011090760-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS, INC. (US) | 2011-07-28 | — | — | WO | disclosed |
| WO-2009158571-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | AVILA THERAPEUTICS AND USES THEREOF (US) | 2009-12-30 | — | — | WO | disclosed |