Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8792164 | 0.80 | TSHR (0.34) | CYP1A2CYP2C19TSHRKDM4EALDH1A1 | |
| SCHEMBL8793900 | 0.79 | TSHR (0.35) | CYP1A2CYP2C19TSHRKDM4EALDH1A1 | |
| SCHEMBL9422860 | 0.77 | CA12 (0.31) | CYP1A2CYP2C19TSHRKDM4EALDH1A1 | |
| SCHEMBL9422858 | 0.75 | — | — | |
| SCHEMBL6996021 | 0.74 | MEN1 (0.43) | CYP1A2CYP2C19TSHRKDM4EALDH1A1 | |
| SCHEMBL2994358 | 0.61 | SMN1; SMN2 (0.42) | CYP1A2CYP2C19KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL9344185 | 0.61 | TSHR (0.46) | CYP1A2CYP2C19TSHRKDM4EALDH1A1 | |
| SCHEMBL7927782 | 0.60 | MAPT (0.36) | TSHRKDM4EALDH1A1KMT2AMEN1 | |
| SCHEMBL9126556 | 0.60 | KDM4E (0.47) | CYP1A2CYP2C19TSHRKDM4EALDH1A1 | |
| SCHEMBL68627 | 0.60 | PPM1B (0.43) | KDM4EALDH1A1KMT2AMEN1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5334591-A | Useful in the treatment of ocular hypertension and glaucoma | MERCK & CO., INC. (US) | 1994-08-02 | — | — | US | disclosed |