Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL2160439 | 0.85 | TAAR1 (0.59) | TAAR1POLBKDM4ECYP1A2CYP3A4 | |
| SCHEMBL27966122 | 0.76 | TAAR1 (0.49) | TAAR1POLBKDM4ECYP1A2CYP3A4 | |
| SCHEMBL9553582 | 0.72 | GAA (0.58) | KDM4ECYP1A2CYP3A4TSHRKMT2A | |
| SCHEMBL27785586 | 0.72 | GOT1 (0.40) | POLBKDM4ECYP1A2MIFKMT2A | |
| SCHEMBL27692836 | 0.71 | GAA (0.68) | KDM4ECYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL27851689 | 0.71 | RAB9A (0.50) | POLBKDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28109363 | 0.69 | LMNA (0.49) | TAAR1POLBKDM4ECYP3A4TSHR | |
| SCHEMBL27763680 | 0.69 | ALDH1A1 (0.42) | KDM4ECYP1A2KMT2AHTTSMN1; SMN2 | |
| SCHEMBL28849976 | 0.68 | BCAT2 (0.46) | KDM4ECYP1A2KMT2AHTTSMN1; SMN2 | |
| SCHEMBL27716616 | 0.68 | GAA (0.55) | KDM4EKMT2AHTTSMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103415520-A | Pyrrolo six-membered heteroaromatic ring derivative, preparation method thereof and application thereof in medicines | JIANGSU HENGRUI MEDICINE CO | 2013-11-27 | — | — | CN | disclosed |
| CN-102822177-A | Pyrrolo [ 2, 3 - d] pyrimidine urea compounds as jak inhibitors | PFIZER | 2012-12-12 | — | — | CN | disclosed |