Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | JUN | P05412 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | TFEB | P19484 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4601971 | 0.87 | ABCG2 (0.49) | ABCG2MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL4601970 | 0.87 | ABCG2 (0.49) | ABCG2MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL28267297 | 0.78 | ABCG2 (0.69) | ABCG2MAPTALDH1A1KMT2ACYP1A1 | |
| SCHEMBL26402804 | 0.78 | ABCG2 (0.69) | ABCG2MAPTALDH1A1KMT2ACYP1A1 | |
| SCHEMBL17913647 | 0.76 | ALDH1A1 (0.47) | MAPTALDH1A1KMT2AKDM4ELMNA | |
| SCHEMBL27642544 | 0.76 | ABCG2 (0.44) | ABCG2MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL1477685 | 0.73 | NFE2L2 (0.74) | MAPTALDH1A1MEN1KMT2ACYP1A1 | |
| SCHEMBL1379749 | 0.73 | NFE2L2 (0.74) | MAPTALDH1A1MEN1KMT2ACYP1A1 | |
| SCHEMBL1477777 | 0.73 | NFE2L2 (0.74) | MAPTALDH1A1MEN1KMT2ACYP1A1 | |
| SCHEMBL29913403 | 0.73 | NFE2L2 (0.74) | MAPTALDH1A1MEN1KMT2ACYP1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016105525-A2 | NOVEL PYRIMIDINES AS EGFR INHIBITORS AND METHODS OF TREATING DISORDERS | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2016-06-30 | — | — | WO | claimed |
| WO-2020200158-A1 | N-HETEROAROMATIC AMIDE DERIVATIVES FOR TREATMENT OF CANCER | 深圳福沃药业有限公司 | 2020-10-08 | — | — | WO | disclosed |
| WO-2020192302-A1 | PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF | 广州必贝特医药技术有限公司 | 2020-10-01 | — | — | WO | disclosed |