Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17011148 | 0.85 | ALDH1A1 (0.59) | POLBTSHRGAAALDH1A1HPGD | |
| SCHEMBL17011147 | 0.82 | MARS1 (0.53) | CNR1CNR2ALDH1A1MAPTMEN1 | |
| SCHEMBL31139190 | 0.81 | MARS1 (0.54) | CNR1CNR2ALDH1A1HPGDMAPT | |
| SCHEMBL10568581 | 0.81 | KDM4E (0.51) | POLBGAAALDH1A1HPGDKDM4E | |
| SCHEMBL25078379 | 0.81 | POLB (0.47) | POLBTSHRGAACNR1CNR2 | |
| SCHEMBL31747771 | 0.81 | POLB (0.47) | POLBTSHRGAACNR1CNR2 | |
| SCHEMBL28644955 | 0.80 | HPGD (0.50) | POLBGAAALDH1A1HPGDKDM4E | |
| SCHEMBL3864148 | 0.77 | MARS1 (0.49) | POLBTSHRGAACNR1CNR2 | |
| SCHEMBL5526232 | 0.76 | MARS1 (0.46) | POLBTSHRGAACNR1CNR2 | |
| SCHEMBL3864153 | 0.76 | ALDH1A1 (0.40) | POLBTSHRGAACNR1CNR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106432185-A | Complex [Co(L1)2(H2O)] and application thereof in preparation of anticancer drugs | 桂林理工大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-106432300-A | Complex [Nd(HL2)2(H2O)(NO3)2] and application in anti-cancer drug preparation | 桂林理工大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-106432299-A | Complex [Pr(L2)2(H2O)(NO3)2] and application in preparation of anti-cancer drug | 桂林理工大学 | 2017-02-22 | — | — | CN | disclosed |
| CN-106432302-A | [Pr(HL1)2(NO3)3(CH3OH)2(H2O)]H2O and application to anti-cancer medicine | 桂林理工大学 | 2017-02-22 | — | — | CN | disclosed |