Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | RORC | P51449 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9696044 | 0.86 | ALDH1A1 (0.51) | ALDH1A1KDM4ENPSR1RORCKMT2A | |
| SCHEMBL5396641 | 0.83 | L3MBTL1 (0.69) | ALDH1A1L3MBTL1KDM4ENPSR1RORC | |
| SCHEMBL9334396 | 0.78 | RORC (0.52) | L3MBTL1KDM4ENPSR1RORCKMT2A | |
| SCHEMBL21189736 | 0.77 | ALDH1A1 (0.67) | ALDH1A1KDM4EKMT2ASMN1; SMN2LMNA | |
| SCHEMBL16959247 | 0.77 | HSD17B10 (0.53) | ALDH1A1KDM4ENPSR1RORCKMT2A | |
| SCHEMBL8108406 | 0.76 | HSD17B10 (0.51) | ALDH1A1KDM4EKMT2AMEN1TP53 | |
| SCHEMBL15947022 | 0.75 | RORC (0.55) | KDM4ENPSR1RORCKMT2AMEN1 | |
| SCHEMBL22123173 | 0.75 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1KDM4EKMT2AMEN1 | |
| SCHEMBL1762503 | 0.75 | KMT2A (0.61) | KDM4ENPSR1RORCKMT2AMEN1 | |
| SCHEMBL3692474 | 0.74 | KMT2A (0.55) | ALDH1A1L3MBTL1KDM4ENPSR1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5126481-A | Cyclization, reduction, decyclization | BAYER AKTIENGESELLSCHAFT (DE) | 1992-06-30 | — | — | US | disclosed |
| US-5041629-A | Beta-phenoxyethylamines and their use for the preparation of dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |