Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21728056 | 0.80 | LMNA (0.43) | CYP3A4NPC1RAB9AARTDP1 | |
| SCHEMBL24716090 | 0.80 | MAOB (0.44) | CYP3A4KDM4EMAPTMAPK1ALDH1A1 | |
| SCHEMBL24716095 | 0.76 | EPHX2 (0.43) | CYP3A4KDM4E | |
| SCHEMBL24716093 | 0.75 | CFD (0.42) | CYP3A4KDM4EMAPTALDH1A1CYP1A2 | |
| SCHEMBL12863749 | 0.74 | TOP2A (0.52) | MAPTALDH1A1PKMLMNACYP1A2 | |
| SCHEMBL5263668 | 0.72 | ACHE (0.54) | CYP3A4ARTDP1KDM4EMAPT | |
| SCHEMBL5630201 | 0.72 | CYP3A4 (0.47) | CYP3A4ARTDP1KDM4EMAPT | |
| SCHEMBL28397412 | 0.71 | LMNA (0.43) | CYP3A4ARTDP1KDM4EMAPT | |
| SCHEMBL28068682 | 0.71 | MRGPRX4 (0.48) | CYP3A4ARTDP1KDM4EMAPT | |
| SCHEMBL18973312 | 0.70 | RAB9A (0.48) | CYP3A4NPC1RAB9ACASP3SENP8 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022245759-A2 | AGENTS FOR DIRECTED CONJUGATION TECHNIQUES AND CONJUGATED PRODUCTS | BIOHAVEN THERAPEUTICS LTD. (US) | 2022-11-24 | — | — | WO | disclosed |