Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL2107852 | 0.80 | NOS3 (0.43) | HRH3NOS3NOS1NOS2KDM4E | |
| SCHEMBL24776454 | 0.79 | TAAR1 (0.52) | HRH3TAAR1ALDH1A1LMNAALOX15 | |
| SCHEMBL10245894 | 0.78 | NOS2 (0.45) | ALDH1A1NOS3NOS1NOS2SSTR4 | |
| Hydrochloric Acid SCHEMBL11418372 | 0.78 | NOS3 (0.45) | ALDH1A1NOS3NOS1NOS2SSTR4 | |
| SCHEMBL24207725 | 0.77 | HRH3 (0.47) | HRH3TAAR1ALDH1A1LMNAALOX15 | |
| SCHEMBL701433 | 0.76 | NOS3 (0.48) | HRH3TAAR1ALDH1A1LMNATDP1 | |
| SCHEMBL30391719 | 0.76 | ALDH1A1 (0.45) | ALDH1A1NOS3NOS1NOS2SSTR4 | |
| SCHEMBL4038818 | 0.76 | ALDH1A1 (0.45) | ALDH1A1NOS3NOS1NOS2SSTR4 | |
| SCHEMBL30839509 | 0.76 | NOS3 (0.48) | HRH3TAAR1ALDH1A1LMNATDP1 | |
| SCHEMBL5729113 | 0.76 | NOS3 (0.43) | ALDH1A1TDP1NOS3NOS1NOS2 |
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-3687540-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | CGeneTech (Suzhou, China) Co., Ltd. (CN) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019060860-A1 | HETEROARYL COMPOUNDS AS CXCR4 INHIBITORS, COMPOSITION AND METHOD USING THE SAME | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2019-03-28 | — | — | WO | disclosed |