Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | PYGL | P06737 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TCF4 | P15884 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14075324 | 0.92 | KDM4E (0.65) | CYP2C9CYP1A2KMT2AMEN1KDM4E | |
| SCHEMBL14075315 | 0.88 | CYP2C9 (0.65) | CYP2C9CYP1A2KMT2AMEN1KDM4E | |
| SCHEMBL14075328 | 0.84 | KDM4E (0.61) | CYP2C9CYP1A2KMT2AMEN1KDM4E | |
| SCHEMBL14075394 | 0.84 | CYP2C9 (0.78) | CYP2C9CYP1A2KMT2AMEN1ALDH1A1 | |
| SCHEMBL14075311 | 0.83 | ALDH1A1 (0.74) | CYP2C9CYP1A2KMT2AMEN1ALDH1A1 | |
| SCHEMBL14075395 | 0.83 | MEN1 (0.65) | CYP2C9CYP1A2KMT2AMEN1KDM4E | |
| SCHEMBL14075317 | 0.81 | CYP2C9 (0.69) | CYP2C9CYP1A2ALDH1A1CYP2C19POLB | |
| SCHEMBL14075403 | 0.81 | CYP2C9 (0.58) | CYP2C9CYP1A2KMT2AMEN1KDM4E | |
| SCHEMBL31504019 | 0.81 | KDM4E (0.72) | KMT2AMEN1KDM4EALDH1A1MAPT | |
| SCHEMBL14075346 | 0.81 | CYP2C9 (0.83) | CYP2C9CYP1A2KMT2AMEN1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |
| US-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |