Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4446851 | 0.81 | CTSB (0.40) | PTGES2TDP1ALDH1A1HSD17B10CTSB | |
| SCHEMBL11254980 | 0.79 | ALDH1A1 (0.38) | PTGES2TDP1ALDH1A1HSD17B10CTSB | |
| SCHEMBL1073769 | 0.78 | CTSB (0.52) | TDP1ALDH1A1HSD17B10CTSBMEN1 | |
| SCHEMBL29800774 | 0.78 | CTSB (0.52) | TDP1ALDH1A1HSD17B10CTSBMEN1 | |
| SCHEMBL998791 | 0.78 | LIPG (0.41) | TDP1CTSBCYP3A4CYP2D6CA12 | |
| SCHEMBL8562302 | 0.77 | NQO2 (0.58) | ALDH1A1HSD17B10ADRA1DADRA1AADRA1B | |
| SCHEMBL24011106 | 0.77 | TAAR1 (0.50) | PTGES2ALDH1A1 | |
| SCHEMBL9475157 | 0.77 | TDP1 (0.37) | PTGES2TDP1ALDH1A1HSD17B10CTSB | |
| SCHEMBL9444041 | 0.76 | CTSB (0.33) | PTGES2TDP1ALDH1A1HSD17B10CTSB | |
| SCHEMBL3431364 | 0.76 | CTSB (0.33) | PTGES2TDP1ALDH1A1HSD17B10CTSB |
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 |
|---|---|---|---|---|---|---|---|
| US-5767283-A | CHEMICAL INTERMEDIATE FOR 7-N-ORGANOSULFONYL-1H-INDOLE DERIVATIVE ANTITUMOR AGENTS; NONTOXIC | EISAI CO., LTD. (JP) | 1998-06-16 | — | — | US | disclosed |
| US-5721246-A | ANTITUMOR AGENTS; LOW TOXICITY | EISAI CO., LTD. (JP) | 1998-02-24 | — | — | US | disclosed |