Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29067537 | 0.77 | MAPT (0.41) | NPC1RAB9AHPGDALDH1A1MAPT | |
| SCHEMBL3624335 | 0.76 | KMT2A (0.43) | HPGDALDH1A1HTTGAATDP1 | |
| SCHEMBL2230553 | 0.75 | NPC1 (0.48) | NPC1RAB9AHPGDALDH1A1MAPT | |
| SCHEMBL24291856 | 0.75 | ALDH1A1 (0.41) | NPC1RAB9AHPGDALDH1A1MAPT | |
| SCHEMBL3626947 | 0.73 | L3MBTL1 (0.43) | HPGDALDH1A1GAAKDM4ETDP1 | |
| SCHEMBL646260 | 0.71 | TDP1 (0.44) | ALDH1A1GAATDP1LMNA | |
| SCHEMBL4892420 | 0.71 | NPC1 (0.44) | NPC1RAB9AHPGDALDH1A1MAPT | |
| SCHEMBL4790891 | 0.70 | MEN1 (0.49) | NPC1RAB9AALDH1A1MAPTGAA | |
| SCHEMBL22584974 | 0.70 | CA12 (0.31) | — | |
| SCHEMBL30461968 | 0.70 | MAPT (0.50) | NPC1RAB9AHPGDALDH1A1MAPT |
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-3204382-B1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-12-01 | — | — | EP | disclosed |
| WO-2018098367-A1 | INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASES AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-05-31 | — | — | WO | disclosed |