Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR4 | O95977 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29414574 | 0.89 | KDM4E (0.39) | S1PR4ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL27136569 | 0.89 | KDM4E (0.39) | S1PR4ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL26194437 | 0.87 | LMNA (0.41) | S1PR4ALDH1A1LMNAKDM4EGAA | |
| SCHEMBL24032194 | 0.86 | KDM4E (0.37) | S1PR4ALDH1A1LMNACYP1A2CYP2D6 | |
| SCHEMBL21930619 | 0.86 | VCAM1 (0.39) | S1PR4ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL30261892 | 0.86 | VCAM1 (0.39) | S1PR4ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL17542370 | 0.86 | KDM4E (0.41) | ALDH1A1LMNAKDM4EMAPTNPC1 | |
| SCHEMBL26314564 | 0.86 | KMT2A (0.42) | S1PR4ALDH1A1LMNAKDM4EMAPT | |
| SCHEMBL26314559 | 0.86 | ALDH1A1 (0.40) | ALDH1A1LMNAKDM4EMAPTMAPK1 | |
| SCHEMBL22894679 | 0.84 | S1PR4 (0.50) | S1PR4ALDH1A1LMNAKDM4ETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023088894-A1 | MACROCYCLIC 2-AMINO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-05-25 | — | — | WO | disclosed |
| WO-2022129331-A1 | MACROCYCLIC BRANCHED 3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2021250102-A1 | MACROCYCLIC 2-AMINO-3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2021-12-16 | — | — | WO | disclosed |
| WO-2021005043-A1 | MACROCYCLIC SPIROCYCLE DERIVATIVES AS MCL-1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2021-01-14 | — | — | WO | disclosed |