Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | GNAI3 | P08754 | 2/20 | 0.33 |
| ▸ | GNAO1 | P09471 | 2/20 | 0.33 |
| ▸ | GNAI1 | P63096 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28176444 | 0.94 | LMNA (0.34) | GNAI3GNAO1GNAI1LMNACYP3A4 | |
| SCHEMBL27322810 | 0.92 | LMNA (0.33) | GNAI3GNAO1GNAI1LMNACYP3A4 | |
| SCHEMBL28187308 | 0.91 | LMNA (0.32) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| SCHEMBL28147218 | 0.91 | LMNA (0.32) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| Piperazine SCHEMBL28148668 | 0.91 | LMNA (0.32) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| SCHEMBL30722804 | 0.87 | LMNA (0.31) | LMNACYP3A4GABRA1TSHRGABRG2 | |
| SCHEMBL27679539 | 0.86 | SIGMAR1 (0.32) | GNAI3GNAO1GNAI1TSHRSIGMAR1 | |
| Acetic Acid SCHEMBL27678108 | 0.86 | KMT2A (0.40) | SIGMAR1KMT2AALDH1A1 | |
| SCHEMBL1638911 | 0.85 | — | — | |
| Piperazine SCHEMBL28094340 | 0.83 | GNAI3 (0.31) | GNAI3GNAO1GNAI1SIGMAR1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1988903-A | Ophthalmic compositions for treating ocular hypertension | MERCK & CO INC (US) | 2007-06-27 | — | — | CN | disclosed |
| CN-1842335-A | Ophthalmic compositions for treating ocular hypertension | MERCK & CO INC (US) | 2006-10-04 | — | — | CN | disclosed |
| CN-1791402-A | Ophthalmic compositions for treating ocular hypertension | MERCK & CO INC (US) | 2006-06-21 | — | — | CN | disclosed |