Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29631738 | 0.87 | ALDH1A1 (0.43) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| SCHEMBL126200 | 0.87 | ALDH1A1 (0.43) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| SCHEMBL11326454 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL29285342 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL31026623 | 0.85 | ALDH1A1 (0.42) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| SCHEMBL655476 | 0.80 | CA1 (0.58) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL8565881 | 0.78 | CA1 (0.55) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| SCHEMBL11388269 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| SCHEMBL6651758 | 0.75 | ALDH1A1 (0.35) | ALDH1A1TSHRCASP1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL9690160 | 0.75 | CA1 (0.52) | ALDH1A1TSHRCASP1KDM4ELMNA |
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-4094861-A | Process for the production of non-inflammable polytriazines | BAYER AKTIENGESELLSCHAFT (DT) | 1978-06-13 | — | — | US | disclosed |