Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 3/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | LTK | P29376 | 1/20 | 0.36 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 2/20 | 0.35 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1061884 | 0.89 | CA2 (0.38) | HSD17B10NFKB1MAPTLMNABLM | |
| SCHEMBL11580920 | 0.79 | HTR1A (0.34) | CYP1A2HSD17B10CYP2D6TSHRNFKB1 | |
| SCHEMBL1837510 | 0.77 | HTR1A (0.48) | HSD17B10TSHRNFKB1MAPTLMNA | |
| SCHEMBL387883 | 0.77 | ALDH1A1 (0.42) | HSD17B10TSHRNFKB1MAPTLMNA | |
| SCHEMBL10333062 | 0.77 | ALDH1A1 (0.42) | HSD17B10TSHRNFKB1MAPTLMNA | |
| Catechol SCHEMBL29648961 | 0.74 | KDM4E (0.56) | HSD17B10TSHRNFKB1MAPTLMNA | |
| Catechol SCHEMBL27915952 | 0.74 | KDM4E (0.56) | HSD17B10TSHRNFKB1MAPTLMNA | |
| SCHEMBL6880657 | 0.74 | HTR1A (0.46) | TSHRHTR1ACA1CA2 | |
| SCHEMBL30525531 | 0.74 | LMNA (0.47) | TSHRMAPTLMNAHTR1APOLB | |
| SCHEMBL1836555 | 0.74 | LMNA (0.47) | TSHRMAPTLMNAHTR1APOLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0944583-B1 | NOVEL COMPOUNDS USEFUL AS THERAPEUTIC AGENTS AND ASSAY REAGENTS | RILEY PATRICK ANTHONY (GB) | 2005-11-16 | — | — | EP | disclosed |
| US-6573284-B1 | Pro-drugs and assay reagents are provided which are useful as therapeutic agents especially for delivery and targetting therapeutically active agents to melanoma cells. The pro-drugs and assay reagents are substrates for tyrosinase | PHAIRSON MEDICAL LTD (GB) | 2003-06-03 | — | — | US | disclosed |