Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2223293 | 1.00 | AKR1C3 (0.50) | AKR1C3AKR1C1CYP2C9CYP3A4CA2 | |
| SCHEMBL9508762 | 0.84 | AKR1C3 (0.52) | AKR1C3AKR1C1CA2CA4CA5A | |
| SCHEMBL15668275 | 0.84 | MCL1 (0.49) | AKR1C3AKR1C1CYP2C9CYP3A4CA2 | |
| SCHEMBL9512308 | 0.84 | AKR1C3 (0.52) | AKR1C3AKR1C1CA2CA4CA5A | |
| SCHEMBL9508751 | 0.84 | AKR1C3 (0.52) | AKR1C3AKR1C1CA2CA4CA5A | |
| SCHEMBL778517 | 0.76 | CES2 (0.53) | CYP3A4TP53HTTHDAC1ALDH1A1 | |
| SCHEMBL778665 | 0.76 | KDM4E (0.48) | AKR1C3CYP2C9TSHRALDH1A1MEN1 | |
| SCHEMBL9246618 | 0.76 | NR1I2 (0.53) | AKR1C3AKR1C1CYP2C9CYP3A4CA2 | |
| SCHEMBL6669144 | 0.73 | NR1I2 (0.69) | AKR1C3AKR1C1CYP2C9CYP3A4NR1I2 | |
| SCHEMBL27761502 | 0.72 | TSHR (0.47) | AKR1C3AKR1C1CYP2C9CYP3A4CA2 |
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-2011085445-A1 | FLOTATION REAGENTS | TEEBEE HOLDINGS PTY LTD (AU) | 2011-07-21 | — | — | WO | claimed |
| WO-2011085445-A1 | FLOTATION REAGENTS | TEEBEE HOLDINGS PTY LTD (AU) | 2011-07-21 | — | — | WO | disclosed |