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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 8/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | GAA | P10253 | 5/20 | 0.50 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | RAD52 | P43351 | 2/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6229960 | 0.99 | MEN1 (0.56) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| Bromide SCHEMBL6228328 | 0.91 | KDM4E (0.55) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL6231838 | 0.89 | KDM4E (0.56) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| Bromide SCHEMBL6238710 | 0.87 | KMT2A (0.61) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL6230177 | 0.86 | KMT2A (0.62) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| SCHEMBL6229712 | 0.85 | ALDH1A1 (0.61) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| Hydrochloric Acid SCHEMBL6231608 | 0.84 | ALDH1A1 (0.60) | MEN1NPC1RAB9AKMT2AALDH1A1 | |
| Bromide SCHEMBL6236291 | 0.79 | KDM4E (0.61) | MEN1KMT2AALDH1A1EGFRMAPT | |
| SCHEMBL6229913 | 0.78 | KDM4E (0.62) | MEN1KMT2AALDH1A1HSD17B10EGFR | |
| SCHEMBL23206051 | 0.77 | KDM4E (0.69) | MEN1NPC1RAB9AKMT2AALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1025097-B1 | 1-(2-NAPHTHYL) AND 1-(2-AZANAPHTHYL)-4-(1-PHENYLMETHYL)PIPERAZINES BEING DOPAMINE D 4? RECEPTOR SUBTYPE LIGANDS | NEUROGEN CORP (US) | 2005-04-27 | — | — | EP | disclosed |
| CN-1191248-C | 1-(2-naphthyl) and 1(2-azanaphthyl)-4-(1-phenylmethyl)piperazines being dopamine D4 receptor subtype ligands | NEUROGEN CORP (US) | 2005-03-02 | — | — | CN | disclosed |
| US-6384224-B2 | FOR THERAPY AND PROPHYLAXIS OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASE | NEUROGEN CORPORATION | 2002-05-07 | — | — | US | disclosed |
| US-20020013317-A1 | Certain 1- (2-naphthyl) and 1- (2- azanaphthyl) -4- (1-phenylmethyl) piperazines; dopamine receptor subtype specific ligands | NEUROGEN CORPORATION | 2002-01-31 | — | — | US | disclosed |
| US-6331629-B1 | TREATMENT OF NEURO-PSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2001-12-18 | — | — | US | disclosed |
| CN-1283195-A | 1-(2-naphthyl) and 1(2-azanaphthyl)-4-(1-phenylmethyl)piperazines being dopamine D4 receptor subtype ligands | NEUROGEN CORP (US) | 2001-02-07 | — | — | CN | disclosed |
| US-6040448-A | USEFUL FOR TREATMENT OR PREVENTION OF PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES. | NEUROGEN CORPORATION (US) | 2000-03-21 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020013317-A1 | Certain 1- (2-naphthyl) and 1- (2- azanaphthyl) -4- (1-phenylmethyl) piperazines; dopamine receptor subtype specific ligands | DRD2, DRD4, DRD3 | MEN1 4475/4885NPC1 755/4885RAB9A 1639/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.