Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 8/20 | 0.74 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | APP | P05067 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | SNCA | P37840 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CTRC | Q99895 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | GMNN | O75496 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MTOR | P42345 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28890846 | 1.00 | KDR (0.74) | KDRBCHEPDGFRBMEN1ALDH1A1 | |
| SCHEMBL29657663 | 0.89 | KDR (0.80) | KDRBCHEMEN1KMT2AFLT3 | |
| SCHEMBL28414342 | 0.89 | KDR (0.80) | KDRBCHEMEN1KMT2AFLT3 | |
| SCHEMBL28414341 | 0.89 | KDR (0.80) | KDRBCHEMEN1KMT2AFLT3 | |
| SCHEMBL28416374 | 0.88 | KDR (0.79) | KDRPDGFRBMEN1ALDH1A1APP | |
| SCHEMBL28411671 | 0.88 | KDR (0.74) | KDRPDGFRBMEN1ALDH1A1APP | |
| SCHEMBL28416371 | 0.88 | KDR (0.79) | KDRPDGFRBMEN1ALDH1A1APP | |
| SCHEMBL28411669 | 0.88 | KDR (0.74) | KDRPDGFRBMEN1ALDH1A1APP | |
| SCHEMBL28413621 | 0.86 | KDR (0.84) | KDRPDGFRBCTRCEGFRERBB2 | |
| SCHEMBL28410371 | 0.85 | KDR (1.00) | KDRPDGFRBERBB2RETFLT3 |
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-111153889-B | 2-indolone-triazole anti-tumor compound and preparation method and application thereof | 中国医科大学 | 2022-05-20 | — | — | CN | disclosed |
| CN-111153889-A | 2-indolone-triazole anti-tumor compound and preparation method and application thereof | 中国医科大学 | 2020-05-15 | — | — | CN | disclosed |