Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
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 | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.55 |
| ▸ | METAP2 | P50579 | 3/20 | 0.55 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | INSR | P06213 | 2/20 | 0.49 |
| ▸ | IGF1R | P08069 | 2/20 | 0.49 |
| ▸ | FGFR1 | P11362 | 6/20 | 0.46 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.45 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7472528 | 0.98 | NOS1 (0.56) | NOS1METAP2DYRK1AMAPTKDM4E | |
| SCHEMBL7132606 | 0.96 | NOS1 (0.58) | NOS1METAP2DYRK1AMAPTKDM4E | |
| SCHEMBL30896276 | 0.96 | NOS1 (0.58) | NOS1METAP2DYRK1AMAPTKDM4E | |
| Bromide SCHEMBL7136359 | 0.95 | NOS1 (0.56) | NOS1METAP2DYRK1AMAPTKDM4E | |
| Bromide SCHEMBL30477349 | 0.95 | NOS1 (0.56) | NOS1METAP2DYRK1AMAPTKDM4E | |
| Bromide SCHEMBL7139986 | 0.86 | NOS1 (0.55) | NOS1METAP2DYRK1AMAPTKDM4E | |
| SCHEMBL7510321 | 0.84 | NOS1 (0.56) | NOS1METAP2DYRK1AMAPTKDM4E | |
| SCHEMBL6181440 | 0.82 | NOS1 (0.55) | NOS1METAP2DYRK1AMAPTKDM4E | |
| SCHEMBL6726541 | 0.81 | NOS1 (0.58) | NOS1METAP2DYRK1AMAPTKDM4E | |
| SCHEMBL8669605 | 0.81 | NOS1 (0.57) | NOS1METAP2DYRK1AMAPTKDM4E |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118317951-A | Phthalazine derivatives as pyruvate kinase modulators | 西特瑞治疗有限公司 | 2024-07-09 | — | — | CN | disclosed |
| WO-2001079195-A9 | PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS | CORVAS INT INC (US) | 2003-10-23 | — | — | WO | disclosed |
| US-6541467-B1 | And at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. | CORVAS INTERNATIONAL, INC. | 2003-04-01 | — | — | US | disclosed |
| US-6506761-B1 | Compound of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| US-6506754-B1 | Compounds as anticoagulants | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| US-6506760-B1 | Compounds of the invention are active as inhibitors of Thrombin and are useful in treating disease states in mammals which are characterized by abnormal thrombosis and have the following structure: | CORVAS INTERNATIONAL, INC. | 2003-01-14 | — | — | US | disclosed |
| WO-2001079193-A2 | SUBSTITUTED HYDRAZINYL HETEROAROMATIC INHIBITORS OF THROMBIN | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |
| WO-2001079195-A2 | PYRIDINE AND PYRAZINE DERIVATIVES AS THROMBIN INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |
| WO-2001079262-A1 | PYRAZINONE AND PYRIDINONE DERIVATIVES AS THROMBIN INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 2001-10-25 | — | — | WO | disclosed |