Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27576407 | 0.81 | PMM2 (0.41) | TDP1ALDH1A1MAPTCYP3A4TSHR | |
| SCHEMBL10068111 | 0.77 | TDP1 (0.50) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| SCHEMBL28233514 | 0.76 | MAPT (0.60) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| SCHEMBL28233516 | 0.76 | MAPT (0.60) | TDP1ALDH1A1CASP1MAPTCYP3A4 | |
| SCHEMBL27716593 | 0.76 | LMNA (0.32) | TDP1ALDH1A1MAPTLMNA | |
| SCHEMBL27716582 | 0.76 | TSHR (0.45) | TDP1ALDH1A1MAPTCYP3A4TSHR | |
| SCHEMBL28294225 | 0.74 | KIF11 (0.32) | CYP3A4TRPA1 | |
| SCHEMBL27737509 | 0.73 | CD44 (0.33) | ALDH1A1MAPTCYP3A4GAA | |
| SCHEMBL28672997 | 0.72 | ALDH1A1 (0.44) | TDP1ALDH1A1CYP3A4TSHRKDM4E | |
| SCHEMBL13479105 | 0.72 | CYP3A4 (0.63) | TDP1ALDH1A1CASP1MAPTCYP3A4 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105348203-B | Inhibit the composition and method of JAK approach | 里格尔药品股份有限公司 | 2018-09-18 | — | — | CN | disclosed |
| CN-106420756-A | Compositions and methods for inhibition of the JAK pathway | 里格尔药品股份有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-105348203-A | Compositions and methods for inhibition of the JAK pathway | RIGEL PHARMACEUTICALS INC | 2016-02-24 | — | — | CN | disclosed |
| CN-103533938-A | 2,4 substituted pyrimidinediamines for use in discoid lupus | RIGEL PHARMACEUTICALS INC | 2014-01-22 | — | — | CN | disclosed |
| CN-102470135-A | Compositions and methods for inhibiting the JAK pathway | RIGEL PHARMACEUTICALS INC | 2012-05-23 | — | — | CN | disclosed |
| CN-101282945-A | Compositions and methods for inhibiting the JAK pathway | RIGEL PHARMACEUTICALS INC (US) | 2008-10-08 | — | — | CN | disclosed |