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 | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | MEN1 | O00255 | 4/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | PRNP | P04156 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL51008 | 0.98 | LMNA (0.61) | LMNAMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL30330977 | 0.96 | LMNA (0.59) | LMNAMEN1KMT2APOLBALDH1A1 | |
| Naphthalene SCHEMBL9683208 | 0.96 | LMNA (0.59) | LMNAMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL10692862 | 0.90 | LMNA (0.53) | LMNAMEN1KMT2APOLBALDH1A1 | |
| Carbazole SCHEMBL29134578 | 0.90 | LMNA (0.53) | LMNAMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL29359863 | 0.89 | LMNA (0.58) | LMNAMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL645551 | 0.89 | LMNA (0.58) | LMNAMEN1KMT2APOLBALDH1A1 | |
| Benzimidazole SCHEMBL8417549 | 0.88 | LMNA (0.51) | LMNAMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL29035730 | 0.87 | LMNA (0.57) | LMNAMEN1KMT2APOLBALDH1A1 | |
| Benzene SCHEMBL28650339 | 0.87 | LMNA (0.57) | LMNAMEN1KMT2APOLBALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104302636-A | Hepatitis c virus inhibitors | THERAVANCE INC | 2015-01-21 | — | — | CN | disclosed |