Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7734124 | 0.95 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7734127 | 0.83 | CYP3A4 (0.38) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7723353 | 0.78 | HDAC3 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Trifluoroacetic Acid SCHEMBL7731111 | 0.75 | MMP2 (0.38) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Trifluoroacetic Acid SCHEMBL7723157 | 0.75 | HPGD (0.39) | CYP1A2CYP2C9CYP2C19HDAC3HDAC4 | |
| SCHEMBL6063677 | 0.74 | ALOX12 (0.46) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7730106 | 0.74 | CTSC (0.38) | MMP2ERAP2ERAP1LNPEP | |
| SCHEMBL1246343 | 0.73 | LNPEP (0.55) | MMP2ERAP2ERAP1LNPEP | |
| SCHEMBL7857980 | 0.73 | LNPEP (0.55) | MMP2ERAP2ERAP1LNPEP | |
| SCHEMBL7732452 | 0.73 | LMNA (0.42) | HDAC1HDAC8KMT2AMMP2ERAP2 |
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-6436980-B1 | TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES | ESSENTIAL THERAPEUTICS, INC. | 2002-08-20 | — | — | US | disclosed |