Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR5 | P32302 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30332485 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRTP53TDP1CYP1A2 | |
| SCHEMBL41438 | 0.83 | ALDH1A1 (0.39) | ALDH1A1TSHRTP53TDP1CYP1A2 | |
| SCHEMBL10079313 | 0.82 | ALDH1A1 (0.33) | ALDH1A1TSHRTP53TDP1CYP1A2 | |
| Ethane SCHEMBL29184984 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TSHRTP53TDP1CYP1A2 | |
| SCHEMBL28553928 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TSHRTP53TDP1CYP1A2 | |
| SCHEMBL6469766 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TSHRTP53TDP1CYP1A2 | |
| SCHEMBL20117329 | 0.80 | CYP2A6 (0.41) | CXCR5ALDH1A1TSHRTDP1CYP1A2 | |
| SCHEMBL458856 | 0.80 | CYP2A6 (0.41) | CXCR5ALDH1A1TSHRTDP1CYP1A2 | |
| SCHEMBL674402 | 0.80 | CYP2A6 (0.41) | CXCR5ALDH1A1TSHRTDP1CYP1A2 | |
| SCHEMBL15132839 | 0.80 | ALDH1A1 (0.34) | CXCR5ALDH1A1TSHRCYP1A2CYP2A6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9975888-B2 | Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug | MERCK SHARP & DOHME CORP. (US) | 2018-05-22 | — | — | US | disclosed |