Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11689839 | 0.81 | LOXL2 (0.52) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL4223676 | 0.79 | LOXL2 (0.59) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL523810 | 0.78 | LOXL2 (0.57) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL5404108 | 0.77 | TSHR (0.49) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL4230681 | 0.76 | LOXL2 (0.55) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL12415808 | 0.76 | PYCR1 (0.57) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL3633599 | 0.76 | LOXL2 (0.55) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL4521415 | 0.76 | PYCR1 (0.57) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL398128 | 0.76 | GAA (0.59) | LOXL2IDO1TSHRALDH1A1CYP2C19 | |
| SCHEMBL27830410 | 0.73 | ALDH1A1 (0.68) | LOXL2TSHRALDH1A1CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2994471-A1 | MACROCYCLES AS KINASE INHIBITORS | Merck Patent GmbH (DE) | 2016-03-16 | — | — | EP | disclosed |
| WO-2014180524-A1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2014-11-13 | — | — | WO | disclosed |