Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28040764 | 0.80 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2GAAMAPTDDB1 | |
| SCHEMBL5087696 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1SMN1; SMN2GAADDB1CRBN | |
| SCHEMBL6831130 | 0.72 | SIRT3 (0.43) | HTTCA2CA4KMT2AKDM4E | |
| SCHEMBL30680404 | 0.72 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2GAAHTTDDB1 | |
| SCHEMBL10827952 | 0.72 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2GAAHTTDDB1 | |
| SCHEMBL1327237 | 0.71 | KMT2A (0.56) | ALDH1A1HTTKMT2ALMNAPARP1 | |
| SCHEMBL5717691 | 0.70 | CRHBP (0.68) | ALDH1A1SMN1; SMN2GAAMAPTDDB1 | |
| SCHEMBL447126 | 0.68 | NAPRT (0.68) | ALDH1A1SMN1; SMN2HTTMAPTLMNA | |
| SCHEMBL31078773 | 0.68 | NAPRT (0.68) | ALDH1A1SMN1; SMN2HTTMAPTLMNA | |
| SCHEMBL14040985 | 0.68 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2GAAMAPTKMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004087669-A1 | NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF | TAISHO PHARMACEUTICAL CO. LTD. (JP) | 2004-10-14 | — | — | WO | disclosed |