Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9458778 | 0.85 | ESR1 (0.51) | ALDH1A1ESR1L3MBTL1LMNACYP1A2 | |
| SCHEMBL30876053 | 0.83 | PDCD1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9458273 | 0.83 | PTPN11 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9459003 | 0.83 | ALDH1A1 (0.49) | ALDH1A1ESR1LMNANPC1RAB9A | |
| SCHEMBL9448967 | 0.82 | CA12 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9734838 | 0.82 | CA12 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL707407 | 0.81 | CA12 (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9590127 | 0.81 | LMNA (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9448765 | 0.80 | KMT2A (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10974887 | 0.80 | NPC1 (0.54) | ALDH1A1ADRB2ADRB1ADRB3L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5230828-A | NAPHTHALENEDICARBOXYLIC ACID ESTERS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |