Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | AIMP2 | Q13155 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27475946 | 0.88 | POLB (0.50) | CYP2C9POLBNPSR1KMT2AMEN1 | |
| SCHEMBL8442396 | 0.87 | POLB (0.52) | CYP2C9POLBNPSR1KMT2AMEN1 | |
| SCHEMBL4757145 | 0.81 | CYP2C9 (0.54) | CYP2C9KMT2AAIMP2MEN1L3MBTL1 | |
| SCHEMBL8442324 | 0.80 | CYP2C9 (0.39) | CYP2C9POLBKMT2AMEN1L3MBTL1 | |
| SCHEMBL8444682 | 0.79 | CYP2C9 (0.41) | CYP2C9LMNACYP2C19SMN1; SMN2 | |
| SCHEMBL8442043 | 0.79 | CYP2C9 (0.41) | CYP2C9LMNACYP2C19SMN1; SMN2 | |
| SCHEMBL18954292 | 0.77 | CYP2C9 (0.56) | CYP2C9KMT2AAIMP2MEN1L3MBTL1 | |
| SCHEMBL11556453 | 0.75 | CYP2C9 (0.52) | CYP2C9KMT2AMEN1L3MBTL1MAPT | |
| SCHEMBL4755281 | 0.74 | CYP2C9 (0.46) | CYP2C9KMT2AL3MBTL1ALDH1A1LMNA | |
| SCHEMBL8444434 | 0.72 | SMN1; SMN2 (0.40) | CYP2C9POLBNPSR1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6008244-A | APPLYING ONTO OR INTO THE MARINE STRUCTURE TO INHIBIT GROWTH SUCH AS SOFT CORALS, TUNICATES, HYDROIDS, SPONGES, ANEMONES, BARNACLES, TUBEWORMS AND MOLLUSCS | ROHM AND HAAS COMPANY (US) | 1999-12-28 | — | — | US | disclosed |
| EP-0835604-A1 | Halopropargyl compounds as marine antifouling agents | ROHM AND HAAS COMPANY (US) | 1998-04-15 | — | — | EP | disclosed |
| US-5266567-A | Bactericides, fungicides, algicides | ROHM AND HAAS COMPANY (US) | 1993-11-30 | — | — | US | disclosed |