Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15016502 | 0.70 | ALDH1A1 (0.67) | KDM4EALDH1A1MAPTHPGDHTT | |
| SCHEMBL5073393 | 0.68 | ALDH1A1 (0.45) | KDM4EALDH1A1RAB9ANPC1MAPT | |
| SCHEMBL15016469 | 0.67 | CHRNB2 (0.43) | KDM4EALDH1A1HSD11B1HTTPOLB | |
| SCHEMBL16527088 | 0.65 | CHRNB2 (0.46) | KDM4EALDH1A1RAB9ANPC1MAPT | |
| SCHEMBL27920400 | 0.65 | ACHE (0.58) | MAPTMEN1KMT2ACHRNB2CHRNA4 | |
| SCHEMBL803477 | 0.65 | ACHE (0.58) | MAPTMEN1KMT2ACHRNB2CHRNA4 | |
| SCHEMBL10050521 | 0.65 | PPM1B (0.52) | ALDH1A1MAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL14189733 | 0.65 | PPM1B (0.52) | ALDH1A1MAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL14189734 | 0.65 | PPM1B (0.52) | ALDH1A1MAPTMEN1KMT2ACYP1A2 | |
| SCHEMBL8400471 | 0.65 | PPM1B (0.52) | ALDH1A1MAPTMEN1KMT2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8148391-B2 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors | CEPHALON, INC. (US) | 2012-04-03 | — | — | US | claimed |