Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | AGXT | P21549 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27766024 | 0.92 | TSHR (0.45) | TSHRNAAAKCNA3KCNA5LTA4H | |
| SCHEMBL95381 | 0.83 | TSHR (0.44) | TSHRMAOAMAOBTDP1L3MBTL1 | |
| SCHEMBL6238419 | 0.83 | JAK2 (0.33) | KCNA3TDP1HTTSMN1; SMN2LMNA | |
| SCHEMBL2452382 | 0.80 | NPC1 (0.46) | MAOAMAOBLTA4HTDP1IDO1 | |
| SCHEMBL2449865 | 0.79 | L3MBTL1 (0.38) | TDP1L3MBTL1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL3453223 | 0.79 | IDO1 (0.50) | MAOAMAOBIDO1SMN1; SMN2LMNA | |
| SCHEMBL2451127 | 0.78 | KCNA3 (0.52) | KCNA3LTA4HHDAC6 | |
| SCHEMBL15474531 | 0.77 | MAOB (0.48) | TSHRMAOBKCNA3KCNA5KCNA1 | |
| SCHEMBL5543160 | 0.77 | IDO1 (0.44) | NAAAMAOAMAOBTDP1L3MBTL1 | |
| SCHEMBL11352154 | 0.77 | KMT2A (0.40) | TSHRTDP1L3MBTL1SMN1; SMN2LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5877312-A | Method for preparing alkylating agents for their use for alkylating cyclic ureas | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-02 | — | — | US | claimed |
| US-5637780-A | Method for preparing alkylating agents and their use for alkylating cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-06-10 | — | — | US | claimed |
| EP-0767770-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-16 | — | — | EP | claimed |
| WO-1996000708-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | claimed |
| CN-102239147-B | Quinolone compound and pharmaceutical composition | OTSUKA PHARMA CO LTD | 2015-04-01 | — | — | CN | disclosed |
| US-5877312-A | Method for preparing alkylating agents for their use for alkylating cyclic ureas | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| US-5637780-A | Method for preparing alkylating agents and their use for alkylating cyclic ureas | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-06-10 | — | — | US | disclosed |
| EP-0767770-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-04-16 | — | — | EP | disclosed |
| WO-1996000708-A1 | METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-01-11 | — | — | WO | disclosed |