Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Melphalan. 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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.94 |
| ▸ | HIF1A | Q16665 | 6/20 | 0.94 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.94 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.94 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.94 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.94 |
| ▸ | LMNA | P02545 | 3/20 | 0.94 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.94 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.94 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.94 |
| ▸ | THPO | P40225 | 2/20 | 0.94 |
| ▸ | MAPT | P10636 | 2/20 | 0.94 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.94 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.94 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.94 |
| ▸ | MEN1 | O00255 | 2/20 | 0.94 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.94 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.94 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.94 |
| ▸ | ACHE | P22303 | 1/20 | 0.94 |
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 | |
|---|---|---|---|---|
| Sarcolysin SCHEMBL28338888 | 1.00 | HIF1A (0.94) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| Melphalan SCHEMBL5325132 | 0.97 | HIF1A (1.00) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| Melphalan SCHEMBL563239 | 0.97 | HIF1A (1.00) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| (R)-Melphalan SCHEMBL5873 | 0.97 | HIF1A (1.00) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| Sarcolysin SCHEMBL414671 | 0.97 | HIF1A (1.00) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| Melphalan SCHEMBL5872 | 0.97 | HIF1A (1.00) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| Melphalan SCHEMBL41335 | 0.95 | HIF1A (0.97) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| Melphalan SCHEMBL11029192 | 0.95 | HIF1A (0.97) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| Melphalan SCHEMBL2723742 | 0.95 | HIF1A (0.97) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 | |
| Sarcolysin SCHEMBL29061034 | 0.95 | HIF1A (0.97) | HIF1ACYP3A4ALDH1A1SMN1; SMN2ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2599484-A1 | INJECTABLE PHARMACEUTICAL FORMULATION OF MELPHALAN | Eriochem, S.A. (AR) | 2013-06-05 | — | — | EP | disclosed |
| US-20130131174-A1 | INJECTABLE PHARMACEUTICAL FORMULATION OF MELPHALAN | ERIOCHEM (AR) | 2013-05-23 | — | — | US | disclosed |
| EP-1963273-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS | Wyeth a Corporation of the State of Delaware (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075783-A2 | SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR | WYETH (US) | 2007-07-05 | — | — | WO | disclosed |