Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | DRD4 | P21917 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31560492 | 0.92 | NPC1 (0.39) | NPC1ALDH1A1HDAC4OPRL1MEN1 | |
| SCHEMBL31560658 | 0.83 | HPGD (0.41) | NPC1ALDH1A1HDAC4KMT2AHPGD | |
| SCHEMBL31560531 | 0.82 | ACKR3 (0.40) | ALDH1A1HDAC4DRD2DRD4 | |
| SCHEMBL31560727 | 0.81 | KDM2B (0.39) | ALDH1A1MEN1KMT2A | |
| SCHEMBL31560752 | 0.80 | LMNA (0.37) | ALDH1A1HDAC4DRD2DRD4 | |
| SCHEMBL31560480 | 0.80 | HDAC4 (0.38) | ALDH1A1HDAC4HPGD | |
| SCHEMBL31560494 | 0.80 | HDAC4 (0.39) | HDAC4HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL31560667 | 0.80 | DRD2 (0.40) | ALDH1A1HDAC4MEN1KMT2ADRD2 | |
| SCHEMBL31560729 | 0.80 | HDAC4 (0.37) | ALDH1A1HDAC4MEN1KMT2AHPGD | |
| SCHEMBL31560691 | 0.80 | DRD2 (0.38) | ALDH1A1HDAC4HPGDDRD2DRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025074305-A1 | N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2025-04-10 | — | — | WO | claimed |
| WO-2025074305-A1 | N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2025-04-10 | — | — | WO | disclosed |