Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.71 |
| ▸ | RAB9A | P51151 | 3/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4481508 | 0.89 | ALDH1A1 (0.73) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL28451455 | 0.85 | ALDH1A1 (0.53) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL28450946 | 0.84 | MAPT (0.56) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL28445062 | 0.84 | RAB9A (0.56) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL10921434 | 0.83 | LMNA (0.68) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL28442581 | 0.82 | RAB9A (0.57) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL4460442 | 0.81 | ALDH1A1 (0.75) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL28444981 | 0.81 | RAB9A (0.55) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL28659479 | 0.80 | SMN1; SMN2 (0.73) | ALDH1A1RAB9ASMN1; SMN2MAPTLMNA | |
| SCHEMBL28454502 | 0.80 | ALDH1A1 (0.51) | ALDH1A1RAB9ASMN1; SMN2MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113264930-B | Pyrrole BET inhibitor and preparation method and application thereof | 中国药科大学 | 2022-07-29 | — | — | CN | disclosed |
| CN-113264930-A | Pyrrole BET inhibitor and preparation method and application thereof | 中国药科大学 | 2021-08-17 | — | — | CN | disclosed |