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 | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 6/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3691369 | 0.97 | NR4A1 (0.47) | NR4A1MAOAMAOBGAACYP1A2 | |
| Bromide SCHEMBL3692583 | 0.97 | NR4A1 (0.47) | NR4A1MAOAMAOBGAACYP1A2 | |
| Bromide SCHEMBL3689985 | 0.97 | NR4A1 (0.47) | NR4A1MAOAMAOBGAACYP1A2 | |
| Hydrochloric Acid SCHEMBL3687670 | 0.95 | NR4A1 (0.47) | NR4A1MAOAMAOBGAACYP1A2 | |
| Hydrochloric Acid SCHEMBL3692225 | 0.95 | NR4A1 (0.47) | NR4A1MAOAMAOBGAACYP1A2 | |
| Bromide SCHEMBL3693147 | 0.89 | NR4A1 (0.57) | NR4A1MAOAMAOBGAACYP1A2 | |
| Bromide SCHEMBL3691363 | 0.87 | NR4A1 (0.39) | NR4A1MAOAMAOBGAACYP1A2 | |
| Hydrochloric Acid SCHEMBL3691304 | 0.87 | NR4A1 (0.57) | NR4A1MAOAMAOBGAACYP1A2 | |
| Bromide SCHEMBL3696741 | 0.87 | NR4A1 (0.57) | NR4A1MAOAMAOBGAACYP1A2 | |
| Bromide SCHEMBL3691157 | 0.87 | NR4A1 (0.57) | NR4A1MAOAMAOBGAACYP1A2 |
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-7741240-B2 | Transition metal compounds for olefin polymerization and oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2010-06-22 | — | — | US | disclosed |
| US-20080033125-A1 | Transition Metal Compounds for Olefin Polymerization and Oligomerization | EXXONMOBIL CHEMICAL PATENTS INC. | 2008-02-07 | — | — | US | disclosed |