Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA6 | P23280 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA3 | P07451 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL197951 | 0.89 | ALDH1A1 (0.72) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| Ethylenediamine SCHEMBL5032271 | 0.88 | ALDH1A1 (0.69) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| Hydrochloric Acid SCHEMBL28431270 | 0.88 | ALDH1A1 (0.69) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL13007860 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL4700884 | 0.86 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL4917085 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL4914031 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL4908682 | 0.86 | ALDH1A1 (0.67) | ALDH1A1CYP3A4TSHRTDP1CA12 | |
| SCHEMBL14536466 | 0.84 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRTDP1KDM4E | |
| SCHEMBL28107598 | 0.82 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TSHRTDP1CA12 |
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-3321265-A1 | 4,6-DIAMINO-PYRIDO[3,2-D]PYRIMIDINE COMPOUNDS AND THEIR UTILISATION AS MODULATORS OF TOLL-LIKE RECEPTORS | Gilead Sciences, Inc. (US) | 2018-05-16 | — | — | EP | disclosed |