Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL114307 | 0.98 | KDM4E (0.52) | KDM4EALDH1A1USP2LMNAMAPT | |
| SCHEMBL1361840 | 0.80 | KDM4E (0.52) | KDM4EALDH1A1USP2LMNAMAPT | |
| SCHEMBL30839883 | 0.77 | KDM4E (0.69) | KDM4EALDH1A1USP2LMNAMAPT | |
| SCHEMBL204121 | 0.77 | KDM4E (0.69) | KDM4EALDH1A1USP2LMNAMAPT | |
| SCHEMBL3870761 | 0.76 | ALDH1A1 (0.37) | KDM4EALDH1A1USP2LMNAMAPT | |
| SCHEMBL2638947 | 0.75 | KDM4E (0.55) | KDM4EALDH1A1USP2LMNAMAPT | |
| SCHEMBL1343188 | 0.75 | MAOB (0.44) | ALDH1A1LMNAMEN1KMT2ACYP1A2 | |
| SCHEMBL615129 | 0.75 | KDM4E (0.55) | KDM4EALDH1A1USP2LMNAMAPT | |
| SCHEMBL29802150 | 0.75 | KDM4E (0.55) | KDM4EALDH1A1USP2LMNAMAPT | |
| Hydrochloric Acid SCHEMBL8435619 | 0.73 | KDM4E (0.53) | KDM4EALDH1A1USP2LMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235871-B1 | Synthesis of oligoarylamines, and uses and reagents related thereto | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2001-05-22 | — | — | US | disclosed |
| WO-1999028290-A1 | SYNTHESIS OF OLIGOARYLAMINES, AND USES AND REAGENTS RELATED THERETO | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1999-06-10 | — | — | WO | disclosed |