Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.65 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.56 |
| ▸ | TNKS | O95271 | 1/20 | 0.55 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.55 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.55 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.55 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.55 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.55 |
| ▸ | KMO | O15229 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31657173 | 0.94 | AKR1C3 (0.70) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL883130 | 0.92 | TNKS (0.60) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL521860 | 0.90 | AKR1C3 (0.68) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL2436534 | 0.88 | L3MBTL1 (0.65) | AKR1C3TNKSPARP15PARP14PARP10 | |
| SCHEMBL70012 | 0.87 | AKR1C3 (0.85) | AKR1C3SRD5A2TNKSPARP15PARP14 | |
| SCHEMBL30307447 | 0.87 | AKR1C3 (0.85) | AKR1C3SRD5A2TNKSPARP15PARP14 | |
| SCHEMBL16429240 | 0.87 | AKR1C3 (0.85) | AKR1C3SRD5A2TNKSPARP15PARP14 | |
| SCHEMBL28051885 | 0.86 | AKR1C3 (0.67) | AKR1C3SRD5A2TNKSPARP15PARP14 | |
| SCHEMBL14217726 | 0.86 | L3MBTL1 (0.56) | AKR1C3TNKSPARP15PARP14PARP10 | |
| Hydrochloric Acid SCHEMBL7137782 | 0.85 | AKR1C3 (0.82) | AKR1C3SRD5A2TNKSPARP15PARP14 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020009156-A1 | BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE | 第一三共株式会社 | 2020-01-09 | — | — | WO | disclosed |
| WO-2010117635-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-10-14 | — | — | WO | disclosed |