Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | STAT3 | P40763 | 1/20 | 0.48 |
| ▸ | STAT1 | P42224 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8099894 | 0.86 | MEN1 (0.52) | ALDH1A3ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL7925168 | 0.85 | MEN1 (0.51) | ALDH1A3ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL28958142 | 0.82 | NPC1 (0.56) | ALDH1A3ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL7925220 | 0.81 | MEN1 (0.57) | ALDH1A3ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL8106156 | 0.80 | PKM (0.45) | ALDH1A3ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL13325709 | 0.80 | ALDH1A3 (0.83) | ALDH1A3ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL21902775 | 0.80 | MEN1 (0.55) | ALDH1A3ALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL15174027 | 0.79 | ALDH1A1 (0.50) | ALDH1A3ALDH1A1HPGDKDM4ERAB9A | |
| SCHEMBL15173858 | 0.78 | ADRB1 (0.51) | MEN1KMT2AWDR5CLK4TSHR | |
| SCHEMBL1658718 | 0.78 | MEN1 (0.46) | ALDH1A3MEN1KMT2AADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-6229016-B1 | PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2001-05-08 | — | — | US | disclosed |
| US-6071930-A | FOR INHIBITION OF MITOSIS OR TUMOR GROWTH | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2000-06-06 | — | — | US | disclosed |
| US-5994367-A | PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1999-11-30 | — | — | US | disclosed |