Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 11/20 | 0.55 |
| ▸ | PLK3 | Q9H4B4 | 6/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14075418 | 0.87 | PLK1 (0.55) | PLK1PLK3ALDH1A1KMT2AMEN1 | |
| SCHEMBL14075264 | 0.86 | PLK1 (0.69) | PLK1PLK3SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL14075417 | 0.83 | SMN1; SMN2 (0.64) | PLK1PLK3SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL14075268 | 0.83 | PLK1 (0.75) | PLK1PLK3ALDH1A1KMT2AMEN1 | |
| SCHEMBL11010057 | 0.77 | ALDH1A1 (0.56) | SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL3619892 | 0.75 | KMT2A (0.67) | SMN1; SMN2ALDH1A1KMT2AMEN1PKM | |
| SCHEMBL30268471 | 0.74 | RAB9A (0.50) | SMN1; SMN2ALDH1A1KMT2AMEN1PKM | |
| SCHEMBL11790483 | 0.74 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL14217003 | 0.74 | MAPK1 (0.52) | SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL570747 | 0.73 | ESR1 (0.59) | PLK1SMN1; SMN2ALDH1A1LMNACYP1A2 |
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 |