Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8990706 | 0.78 | TSHR (0.55) | ALDH1A1LMNAKMT2AGAAMAPT | |
| SCHEMBL8990657 | 0.72 | MEN1 (0.50) | ALDH1A1RAB9ALMNAKMT2AGAA | |
| SCHEMBL5076584 | 0.71 | SMN1; SMN2 (0.65) | ALDH1A1RAB9ALMNAKMT2AGAA | |
| SCHEMBL12768197 | 0.68 | KMT2A (0.57) | ALDH1A1RAB9ALMNAKMT2AGAA | |
| SCHEMBL8990532 | 0.67 | SMN1; SMN2 (0.41) | ALDH1A1RAB9ALMNAKMT2AGAA | |
| SCHEMBL27936461 | 0.66 | ALDH1A1 (0.54) | ALDH1A1RAB9ALMNAKMT2AGAA | |
| SCHEMBL21552556 | 0.65 | KMT2A (0.40) | ALDH1A1RAB9ALMNAKMT2AGAA | |
| SCHEMBL3517840 | 0.65 | KMT2A (0.86) | ALDH1A1RAB9ALMNAKMT2AGAA | |
| SCHEMBL12715047 | 0.64 | KMT2A (0.52) | ALDH1A1LMNAKMT2AMAPTPKM | |
| SCHEMBL31500691 | 0.63 | HPGD (0.63) | ALDH1A1KMT2AGAASMN1; SMN2CA1 |
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-5500428-A | Furyl-substituted purines and adenosine antagonists | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1996-03-19 | — | — | US | disclosed |
| US-5300509-A | Adenosine antagonists for treating cardiovascular disorders, vasodilation | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-04-05 | — | — | US | disclosed |
| EP-0544445-A2 | Furyl-substituted purines, oxazolopyrimidines and pteridines as adenosine antagonists | ZENECA LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |