Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8100748 | 1.00 | DHFR (0.46) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8771435 | 0.94 | DHFR (0.42) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8095623 | 0.92 | CYP3A4 (0.54) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8093306 | 0.92 | CYP3A4 (0.54) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8085205 | 0.92 | CYP3A4 (0.54) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8765081 | 0.92 | CYP3A4 (0.54) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8093378 | 0.92 | CYP3A4 (0.54) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8085562 | 0.92 | CYP3A4 (0.54) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8099912 | 0.92 | CYP3A4 (0.54) | DHFRALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL8100926 | 0.92 | CYP3A4 (0.54) | DHFRALDH1A1CYP3A4TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |