Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.51 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL26706566 | 1.00 | TSHR (0.59) | TSHRTP53LMNANPC1RAB9A | |
| SCHEMBL28304280 | 0.86 | KMT2A (0.47) | TSHRLMNANPC1RAB9AHTT | |
| SCHEMBL14297427 | 0.85 | NPC1 (0.61) | TSHRTP53LMNANPC1RAB9A | |
| SCHEMBL9733455 | 0.84 | CA1 (0.65) | TSHRLMNASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL9733449 | 0.84 | CA1 (0.65) | TSHRLMNASMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL14316416 | 0.83 | TSHR (0.61) | TSHRTP53LMNANPC1RAB9A | |
| SCHEMBL15253524 | 0.82 | TSHR (0.64) | TSHRTP53LMNANPC1RAB9A | |
| SCHEMBL582407 | 0.82 | TSHR (0.64) | TSHRTP53LMNANPC1RAB9A | |
| SCHEMBL15253339 | 0.82 | TSHR (0.64) | TSHRTP53LMNANPC1RAB9A | |
| SCHEMBL10974887 | 0.82 | NPC1 (0.54) | TSHRTP53LMNANPC1RAB9A |
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-114656468-B | Crystal form of casein kinase 1 epsilon inhibitor, preparation method and application thereof | 杭州和正医药有限公司 | 2023-08-04 | — | — | CN | disclosed |
| CN-114656468-A | Crystal form of casein kinase 1 epsilon inhibitor, preparation method and application thereof | 杭州和正医药有限公司 | 2022-06-24 | — | — | CN | disclosed |
| EP-3129014-B1 | NOVEL ORGANOSELENIUM COMPOUNDS, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL USES THEREOF AS ANTITUMOUR AGENTS | TETRAHEDRON (FR) | 2021-05-12 | — | — | EP | disclosed |
| WO-1996007629-A1 | TECHNETIUM CHELATES TO BE USED FOR DETERMINING THE RENAL FUNCTION | MALLINCKRODT MEDICAL, INC. (US) | 1996-03-14 | — | — | WO | disclosed |