Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 2/20 | 0.35 |
| ▸ | LDHB | P07195 | 2/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.31 |
| ▸ | USP7 | Q93009 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28057567 | 0.85 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TDP1TSHRRPS6KA3 | |
| Methane SCHEMBL28536983 | 0.83 | CYP3A4 (0.37) | ALDH1A1CYP3A4TDP1TSHRRPS6KA3 | |
| SCHEMBL8954074 | 0.77 | DHFR (0.55) | DHFRALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL5382005 | 0.71 | ALDH1A1 (0.32) | ALDH1A1CYP3A4TDP1USP7TP53 | |
| SCHEMBL23050229 | 0.71 | LMNA (0.61) | DHFRLMNAALDH1A1CYP3A4TDP1 | |
| SCHEMBL99566 | 0.69 | ALDH1A1 (0.54) | DHFRLMNAALDH1A1CYP3A4TDP1 | |
| SCHEMBL924270 | 0.69 | ALDH1A1 (0.37) | ALDH1A1CYP3A4TDP1TSHRMAOA | |
| SCHEMBL8953996 | 0.68 | ALDH1A1 (0.52) | DHFRLMNAALDH1A1CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL10585120 | 0.68 | ALDH1A1 (0.52) | DHFRLMNAALDH1A1CYP3A4TDP1 | |
| SCHEMBL8953943 | 0.68 | CYP3A4 (0.50) | DHFRALDH1A1CYP3A4TDP1TSHR |
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-1359139-A1 | TERPHENYL COMPOUNDS BEARING SUBSTITUTED AMINO GROUPS | SHIONOGI & CO., LTD. (JP) | 2003-11-05 | — | — | EP | claimed |