Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 1/20 | 0.36 |
| ▸ | F11 | P03951 | 2/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8912900 | 1.00 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2HTTNCOA1 | |
| SCHEMBL8915198 | 0.78 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2HTTTAS1R3 | |
| SCHEMBL8915211 | 0.78 | ALDH1A1 (0.55) | ALDH1A1KDM4ESMN1; SMN2HTTTAS1R3 | |
| SCHEMBL22897202 | 0.69 | CAPN1 (0.51) | HPGDS | |
| SCHEMBL8912165 | 0.68 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL8917471 | 0.68 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL6677495 | 0.68 | SMN1; SMN2 (0.48) | ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A | |
| SCHEMBL9716963 | 0.68 | CNR2 (0.49) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL9716965 | 0.68 | CNR2 (0.49) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 | |
| SCHEMBL9716962 | 0.68 | CNR2 (0.49) | ALDH1A1SMN1; SMN2HTTNCOA1NCOA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5606073-A | INTERMEDIATES FOR ADENOSINE ANTAGONISTS | EISAI CO., LTD. (JP) | 1997-02-25 | — | — | US | disclosed |
| US-5541213-A | ADENOSINE A1 RECEPTOR ANTAGONISTS, TREATMENT OF KIDNEY DISORDERS | EISAI CO., LTD. (JP) | 1996-07-30 | — | — | US | disclosed |
| EP-0630894-A1 | Propenoic acid derivatives as adenosine A1 antagonists | Eisai Co., Ltd. (JP) | 1994-12-28 | — | — | EP | disclosed |