Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 7/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29727839 | 0.85 | TDP1 (0.56) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL27683829 | 0.85 | TDP1 (0.56) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL8762158 | 0.83 | CYP1A2 (0.55) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL3737638 | 0.83 | CYP1A2 (0.60) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL1072302 | 0.82 | TSHR (0.50) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL22032838 | 0.82 | TDP1 (0.47) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL29399544 | 0.82 | TDP1 (0.47) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL24755061 | 0.80 | MEN1 (0.46) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL11263637 | 0.80 | CYP1A2 (0.47) | CYP1A2TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL241906 | 0.80 | ALDH1A1 (0.47) | CYP1A2TDP1TSHRCYP3A4MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0253396-B1 | PROCESS FOR PREPARING 5,6-SUBSTITUTED-2,4-QUINAZOLINEDIAMINES AND INTERMEDIATES | WARNER-LAMBERT COMPANY (US) | 1993-03-17 | — | — | EP | disclosed |
| EP-0253396-A2 | Process for preparing 5,6-substituted-2,4-quinazolinediamines and intermediates | WARNER-LAMBERT COMPANY (US) | 1988-01-20 | — | — | EP | disclosed |
| US-4677219-A | Substituted benzonitriles | WARNER-LAMBERT COMPANY (US) | 1987-06-30 | — | — | US | disclosed |