Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | HTR6 | P50406 | 3/20 | 0.55 |
| ▸ | NAMPT | P43490 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL9589105 | 0.83 | L3MBTL1 (0.54) | CYP3A4KDM4EMAPTNAMPTCA2 | |
| Bromide SCHEMBL9586294 | 0.82 | L3MBTL1 (0.53) | CYP3A4KDM4EMAPTNAMPTCA2 | |
| SCHEMBL9587169 | 0.80 | PKM (0.66) | NAMPTCA2CA12CA1CA9 | |
| (Phenylsulfonyl)Benzene SCHEMBL11592754 | 0.79 | HTR6 (0.78) | KDM4EMAPTHTR6CA2CA12 | |
| SCHEMBL1251842 | 0.78 | EPHX2 (0.49) | CYP3A4KDM4EMAPTCA2CA12 | |
| SCHEMBL4615611 | 0.78 | HTR6 (0.61) | KDM4EMAPTHTR6CA2L3MBTL1 | |
| N-Benzylmethylamine SCHEMBL28152405 | 0.78 | CYP3A4 (0.71) | CYP3A4KDM4EMAPTCA2CA12 | |
| N-Benzylmethylamine SCHEMBL28264218 | 0.78 | KDM4E (0.71) | CYP3A4KDM4EMAPTCA2CA12 | |
| SCHEMBL9587546 | 0.77 | HTR6 (0.59) | CYP3A4KDM4EMAPTHTR6NAMPT | |
| SCHEMBL24917161 | 0.77 | HTR6 (0.77) | MAPTHTR6NAMPTCA2CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5574039-A | ANTITUMOR, FUNGICIDES | AGOURON PHARMACEUTICALS, INC. (US) | 1996-11-12 | — | — | US | disclosed |
| EP-0550566-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS (US) | 1993-07-14 | — | — | EP | disclosed |
| WO-1993013079-A1 | ANTIFOLATE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-07-08 | — | — | WO | disclosed |
| WO-1992005153-A1 | ANTIPROLIFERATIVE SUBSTITUTED NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1992-04-02 | — | — | WO | disclosed |