Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | GALR2 | O43603 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8915128 | 1.00 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL8915211 | 0.90 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL8915198 | 0.90 | ALDH1A1 (0.55) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL8912912 | 0.67 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1KMT2AATM | |
| SCHEMBL8912900 | 0.67 | ALDH1A1 (0.42) | ALDH1A1KDM4EMEN1KMT2AATM | |
| SCHEMBL6520812 | 0.59 | HTT (0.60) | ALDH1A1KDM4EMEN1KMT2AHTT | |
| SCHEMBL28548693 | 0.58 | ALDH1A1 (1.00) | ALDH1A1KDM4ELMNAMEN1KMT2A | |
| SCHEMBL6323327 | 0.57 | ALDH1A1 (0.66) | ALDH1A1HTTDPP4DPP8SMN1; SMN2 | |
| SCHEMBL5127717 | 0.56 | HPGDS (0.45) | ALDH1A1LMNAHTTRAB9ASMN1; SMN2 | |
| SCHEMBL27290761 | 0.56 | CRHBP (0.56) | ALDH1A1LMNAMEN1KMT2AMAPT |
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 |