Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30239648 | 0.81 | KLKB1 (0.36) | ALDH1A1HPGDHSD17B10AKT1 | |
| SCHEMBL20983803 | 0.79 | ABHD6 (0.66) | — | |
| SCHEMBL5776465 | 0.78 | CYP2A13 (0.44) | ALDH1A1MAPTHSD17B10LMNAKDM4E | |
| SCHEMBL16111314 | 0.78 | UCHL1 (0.41) | TIPARPTMEM97SIGMAR1 | |
| SCHEMBL8219651 | 0.77 | MAOA (0.47) | ALDH1A1MAPTHPGDHSD17B10KDM4E | |
| SCHEMBL16110897 | 0.75 | UCHL1 (0.41) | TMEM97SIGMAR1 | |
| SCHEMBL2804587 | 0.75 | AKR1C3 (0.50) | MAPTAKR1C3KMT2ANPC1MEN1 | |
| SCHEMBL5446306 | 0.74 | TMEM97 (0.67) | TIPARPTMEM97SIGMAR1NPC1RAB9A | |
| SCHEMBL30924716 | 0.74 | NPC1 (0.47) | ALDH1A1MAPTHPGDKMT2ANPC1 | |
| SCHEMBL16111044 | 0.74 | AKR1C3 (0.51) | ALDH1A1MAPTHPGDHSD17B10LMNA |
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-4373485-A1 | CXCR4 MODULATORS AND USES RELATED THERETO | Emory University (US) | 2024-05-29 | — | — | EP | disclosed |
| WO-2023003862-A1 | CXCR4 MODULATORS AND USES RELATED THERETO | EMORY UNIVERSITY (US) | 2023-01-26 | — | — | WO | disclosed |