Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | APP | P05067 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.45 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL12527960 | 0.98 | TDP1 (0.53) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL8382842 | 0.93 | TDP1 (0.58) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL9815319 | 0.89 | TDP1 (0.53) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL31561683 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL21143393 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL31561685 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL8840754 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL7529412 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL28005581 | 0.88 | TDP1 (0.64) | TDP1ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL1643966 | 0.86 | ALDH1A1 (0.56) | TDP1ALDH1A1NPC1MAPTRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-113583011-A | Water-soluble porphyrin carboxylate and preparation method and application thereof | 安徽清科瑞洁新材料有限公司 | 2021-11-02 | — | — | CN | disclosed |