Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.62 |
| ▸ | CA1 | P00915 | 7/20 | 0.59 |
| ▸ | CA2 | P00918 | 7/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | CA4 | P22748 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9974560 | 0.84 | CA1 (0.64) | CA1CA2CA12CA9CA4 | |
| SCHEMBL9974562 | 0.81 | ALDH1A1 (0.58) | CA1CA2LMNAALDH1A1HDAC3 | |
| SCHEMBL10254172 | 0.80 | BCHE (0.72) | BCHELMNAHSD17B10ALDH1A1MDM2 | |
| SCHEMBL9514501 | 0.79 | CA1 (0.68) | CA1CA2CA12CA9CA4 | |
| SCHEMBL9515833 | 0.79 | CA2 (0.63) | CA1CA2CA12CA9CA4 | |
| SCHEMBL15499792 | 0.79 | CA1 (0.75) | CA1CA2CA12CA9LMNA | |
| SCHEMBL306752 | 0.78 | BCHE (0.70) | BCHELMNAHSD17B10ALDH1A1MDM2 | |
| SCHEMBL9639810 | 0.77 | HDAC1 (0.59) | CA1CA2ALDH1A1HTTTSHR | |
| SCHEMBL16353729 | 0.77 | BCHE (1.00) | BCHECA1CA2CA12CA9 | |
| SCHEMBL4272357 | 0.76 | CA1 (0.67) | CA1CA2CA12CA9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| JP-4054165-A | — | — | None | — | — | JP | disclosed |
| JP-H0454165-A | NEW HETEROCYCLIC COMPOUND | DAIICHI RAJIO ISOTOPE KENKYUSHO:KK | 1992-02-21 | — | — | JP | disclosed |