Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2062178 | 0.85 | CYP3A4 (0.56) | CYP3A4GAATHRBTSHRTDP1 | |
| SCHEMBL30873107 | 0.84 | CYP3A4 (0.56) | CYP3A4GAATHRBTSHRTDP1 | |
| SCHEMBL1771537 | 0.84 | CYP3A4 (0.56) | CYP3A4GAATHRBTSHRTDP1 | |
| SCHEMBL7001023 | 0.84 | GAA (0.56) | CYP3A4GAATHRBTSHRTDP1 | |
| SCHEMBL3844656 | 0.84 | CYP1A2 (0.60) | CYP3A4TSHRTDP1ALDH1A1ALOX15 | |
| SCHEMBL11597123 | 0.84 | CYP1A2 (0.60) | CYP3A4TSHRTDP1ALDH1A1ALOX15 | |
| SCHEMBL588348 | 0.83 | CYP3A4 (0.63) | CYP3A4GAATHRBTSHRTDP1 | |
| SCHEMBL29780563 | 0.82 | ALDH1A1 (0.50) | CYP3A4GAATHRBTSHRTDP1 | |
| SCHEMBL20718830 | 0.82 | ALDH1A1 (0.50) | CYP3A4GAATHRBTSHRTDP1 | |
| SCHEMBL2566274 | 0.81 | CYP3A4 (0.53) | CYP3A4GAATHRBTSHRTDP1 |
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-1487824-B1 | DIAMINO-PYRIMIDINES AND THEIR USE AS ANGIOGENESIS INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2007-06-20 | — | — | EP | disclosed |