Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | DGKA | P23743 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PAM | P19021 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3775783 | 1.00 | GSTP1 (0.56) | GSTP1L3MBTL1EPHX2TSHRDGKA | |
| SCHEMBL10011215 | 0.92 | GSTP1 (0.62) | GSTP1L3MBTL1EPHX2TSHRDGKA | |
| SCHEMBL11538420 | 0.92 | GSTP1 (0.62) | GSTP1L3MBTL1EPHX2TSHRDGKA | |
| SCHEMBL11538433 | 0.92 | GSTP1 (0.62) | GSTP1L3MBTL1EPHX2TSHRDGKA | |
| SCHEMBL1482992 | 0.89 | GSTP1 (0.65) | GSTP1L3MBTL1EPHX2TSHRDGKA | |
| SCHEMBL10011454 | 0.85 | GSTP1 (0.59) | GSTP1L3MBTL1EPHX2TSHRDGKA | |
| SCHEMBL10476495 | 0.84 | GSTP1 (0.56) | GSTP1L3MBTL1EPHX2TSHRALDH1A1 | |
| SCHEMBL7637894 | 0.82 | L3MBTL1 (0.69) | GSTP1L3MBTL1TSHRDGKAALDH1A1 | |
| SCHEMBL10012282 | 0.82 | GSTP1 (0.54) | GSTP1L3MBTL1EPHX2TSHRDGKA | |
| SCHEMBL3962198 | 0.82 | L3MBTL1 (0.69) | GSTP1L3MBTL1TSHRDGKAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2576699-B1 | NAPHTHOCYANINES FOR USE AS CONTRAST AGENTS | PHARMPUR GMBH (DE) | 2017-07-12 | — | — | EP | disclosed |