Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12272254 | 0.84 | KDM4E (0.40) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL28643560 | 0.83 | KDM4E (0.46) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL14046649 | 0.81 | ALDH1A1 (0.46) | KDM4EMAPTGAAMEN1LMNA | |
| SCHEMBL9587134 | 0.79 | CYP1A2 (0.43) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL21966924 | 0.78 | TSHR (0.45) | TSHRKDM4EMAPTHTTSMN1; SMN2 | |
| SCHEMBL3173181 | 0.78 | GRM4 (0.48) | MAPTLMNAALDH1A1ABCG2 | |
| SCHEMBL6815182 | 0.77 | ALDH1A1 (0.63) | CYP3A4TSHRKDM4EMAPTMEN1 | |
| SCHEMBL8343255 | 0.76 | SLC22A12 (0.50) | MAPTALDH1A1IDO1 | |
| SCHEMBL12117937 | 0.73 | ABCG2 (0.46) | TSHRMAPTHTTALDH1A1ABCG2 | |
| SCHEMBL13548437 | 0.73 | TDP1 (0.46) | CYP3A4TSHRMEN1HPGDKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993013079-A1 | ANTIFOLATE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-07-08 | — | — | WO | disclosed |