Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.50 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29827352 | 0.98 | NPC1 (0.60) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| Triclocarban SCHEMBL28326552 | 0.84 | MEN1 (0.77) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| SCHEMBL28597947 | 0.83 | NPC1 (0.70) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| 4-Chlorophenylbiguanide SCHEMBL305068 | 0.79 | NPC1 (0.53) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| SCHEMBL10734509 | 0.79 | SMN1; SMN2 (0.61) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| Bicarbonate SCHEMBL3281891 | 0.79 | NPC1 (0.64) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| SCHEMBL11139315 | 0.79 | EPHX1 (0.68) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| SCHEMBL4311708 | 0.79 | F2 (0.65) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| SCHEMBL1186622 | 0.78 | NPC1 (0.61) | NPC1ALDH1A1KMT2AMEN1CA12 | |
| SCHEMBL11048619 | 0.78 | MEN1 (0.76) | NPC1ALDH1A1KMT2AMEN1CA12 |
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-117338615-A | Oral care formulations comprising chlorhexidine and arginine or salts thereof | 梅达公司 | 2024-01-05 | — | — | CN | disclosed |
| CN-113226269-B | Oral care formulations comprising chlorhexidine and arginine or salts thereof | 梅达公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-113226269-A | Oral care formulations comprising chlorhexidine and arginine or salts thereof | 梅达公司 | 2021-08-06 | — | — | CN | disclosed |