Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5889312 | 0.85 | NOS1 (0.49) | MAPK1MAPTGAAMEN1KMT2A | |
| SCHEMBL5889295 | 0.75 | NOS1 (0.54) | MAPTGAAMEN1KMT2AKDM4E | |
| SCHEMBL14457906 | 0.74 | ALDH1A1 (0.44) | MAPK1MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL14457840 | 0.74 | MAOA (0.47) | MAPTALDH1A1GAAMEN1KMT2A | |
| SCHEMBL14457932 | 0.74 | NOS1 (0.42) | MAPTALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL24803124 | 0.72 | CHRNB2 (0.58) | CHRNB2CHRNA4CYP11B2CYP2A6ALDH1A1 | |
| SCHEMBL5889318 | 0.71 | ALDH1A1 (0.56) | MAPTALDH1A1GAAMEN1KMT2A | |
| SCHEMBL14457874 | 0.71 | CHRNB4 (0.45) | MAPTALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4047125 | 0.70 | IDO1 (0.39) | CYP11B2CYP2A6ALDH1A1CYP2C19CYP1A2 | |
| SCHEMBL28699053 | 0.69 | ALDH1A1 (0.49) | CYP11B2CYP2A6MAPTHTTCYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1121357-A1 | 2-HETARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES | Bayer Aktiengesellschaft (DE) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000021958-A1 | 2-HETARYL-3,4-DIHYDRO-2H-PYRROLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-04-20 | — | — | WO | disclosed |