Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11036035 | 0.74 | ALDH1A1 (0.40) | ALDH1A1HPGDPKMLMNARAB9A | |
| SCHEMBL11040125 | 0.73 | P2RX3 (0.30) | — | |
| SCHEMBL14147928 | 0.64 | — | — | |
| SCHEMBL11020364 | 0.64 | PDE4A (0.32) | HPGDHSD17B10 | |
| SCHEMBL11021706 | 0.61 | POLB (0.32) | RAB9AMAPTMEN1KMT2APOLB | |
| SCHEMBL11020046 | 0.61 | P2RX3 (0.33) | ALDH1A1 | |
| SCHEMBL9247800 | 0.60 | ALDH1A1 (0.50) | ALDH1A1HPGDPKMLMNARAB9A | |
| SCHEMBL11846011 | 0.58 | HCAR1 (0.39) | ALDH1A1HPGD | |
| SCHEMBL17767280 | 0.57 | ALDH1A1 (0.47) | ALDH1A1HPGDPKMRECQLHSD17B10 | |
| SCHEMBL11036030 | 0.57 | P2RX3 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0160208-A1 | 3-(2,2-Tetramethylenepropyl)-1,3,5-triazine-2,4-diones | BAYER AG (DE) | 1985-11-06 | — | — | EP | claimed |
| EP-0160208-A1 | 3-(2,2-Tetramethylenepropyl)-1,3,5-triazine-2,4-diones | BAYER AG (DE) | 1985-11-06 | — | — | EP | disclosed |