Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.44 |
| ▸ | FTO | Q9C0B1 | 2/20 | 0.61 |
| ▸ | PABPC1 | P11940 | 2/20 | 0.56 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.56 |
| ▸ | NGFR | P08138 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 4/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | RAD52 | P43351 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9401951 | 1.00 | FTO (0.61) | FTOPABPC1NTRK1NGFRCA12 | |
| SCHEMBL9137157 | 1.00 | FTO (0.61) | FTOPABPC1NTRK1NGFRCA12 | |
| SCHEMBL9134914 | 0.95 | FTO (0.67) | FTOPABPC1NTRK1NGFRCA12 | |
| SCHEMBL9136054 | 0.95 | FTO (0.67) | FTOPABPC1NTRK1NGFRCA12 | |
| SCHEMBL9137315 | 0.95 | FTO (0.67) | FTOPABPC1NTRK1NGFRCA12 | |
| SCHEMBL9134908 | 0.95 | FTO (0.67) | FTOPABPC1NTRK1NGFRCA12 | |
| SCHEMBL9401920 | 0.85 | HEXA (0.50) | POLBMEN1KMT2AMAPTKDM4E | |
| SCHEMBL9401924 | 0.85 | HEXA (0.50) | POLBMEN1KMT2AMAPTKDM4E | |
| SCHEMBL8984832 | 0.82 | FTO (0.74) | FTOPABPC1NTRK1NGFRCA12 | |
| SCHEMBL9078081 | 0.82 | FTO (0.41) | FTOPABPC1NTRK1NGFRCA12 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5461176-A | Reacting alanine methyl ester with oxalyl chloride, treating with ammonia in methanol, reducing amides with diborane in tetrahydrofuran, neutralizing with sodium ethoxide to yield free amine | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-10-24 | — | — | US | disclosed |
| US-5329048-A | Reaction of tert-butyloxycarbonylaniline with 1,1' carbonyl diimidazole then ethylenediamine, then acidification to remove tert-butyloxycarbonyl | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-07-12 | — | — | US | disclosed |
| EP-0577753-A1 | BIS-NAPHTHALIMIDES CONTAINING AMINO-ACID DERIVED LINKERS AS ANTICANCER AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-01-12 | — | — | EP | disclosed |
| US-5206249-A | Diastereoisomers; enantiomorphs; antitumor agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-04-27 | — | — | US | disclosed |
| WO-1992017453-A1 | BIS-NAPHTHALIMIDES CONTAINING AMINO-ACID DERIVED LINKERS AS ANTICANCER AGENTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-10-15 | — | — | WO | disclosed |
| EP-0506008-A1 | Bis-naphthalimides containing amino-acid derived linkers as anticancer agents | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-09-30 | — | — | EP | disclosed |