Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8577964 | 0.90 | KDM4E (0.43) | TSHRP2RX7ALDH1A1KDM4EMEN1 | |
| SCHEMBL8577000 | 0.81 | MEN1 (0.47) | TSHRP2RX7ALDH1A1KDM4EMEN1 | |
| SCHEMBL8576994 | 0.79 | MEN1 (0.52) | ALDH1A1KDM4EMEN1KMT2ATDP1 | |
| SCHEMBL8577820 | 0.79 | HTT (0.43) | TSHRALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL8579589 | 0.77 | KMT2A (0.45) | ALDH1A1KDM4EMEN1KMT2AGAA | |
| SCHEMBL6093649 | 0.75 | KDM4E (0.80) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL6093318 | 0.74 | ALDH1A1 (0.56) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL7761656 | 0.72 | KMT2A (0.61) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL8578124 | 0.70 | ALDH1A1 (0.51) | ALDH1A1KDM4EMEN1KMT2AHPGD | |
| SCHEMBL18207522 | 0.70 | ALDH1A1 (0.56) | ALDH1A1KDM4EMEN1KMT2AHPGD |
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-5719279-A | CHOLINOMIMETICS | BOEHRINGER INGELHEIM KG (DE) | 1998-02-17 | — | — | US | disclosed |
| EP-0654033-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003456-A1 | ASYMMETRICALLY SUBSTITUTED XANTHINE WITH ADENOSINE-ANTAGONISTIC PROPERTIES | BOEHRINGER INGELHEIM KG (DE) | 1994-02-17 | — | — | WO | disclosed |