Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | GPR65 | Q8IYL9 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5749719 | 0.98 | DHFR (0.47) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL29861015 | 0.89 | HSP90AA1 (0.51) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL5750835 | 0.83 | MEN1 (0.48) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL5748593 | 0.83 | ADORA2A (0.67) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL5746670 | 0.83 | HSP90AA1 (0.60) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL5749587 | 0.83 | HSP90AA1 (0.73) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL8329880 | 0.81 | HSP90AA1 (0.59) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5748225 | 0.81 | HSP90AA1 (0.71) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| SCHEMBL8328709 | 0.81 | HSP90AA1 (0.71) | DHFRHSP90AA1HSP90AB1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL5749835 | 0.81 | ADORA2A (0.65) | DHFRHSP90AA1HSP90AB1MEN1KMT2A |
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-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0459830-A1 | Pharmacologically active CNS compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-12-04 | — | — | EP | disclosed |