Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | PIM1 | P11309 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28859756 | 0.88 | ALDH1A1 (0.58) | ALDH1A1CYP19A1CYP3A4PIM1LMNA | |
| SCHEMBL26200975 | 0.88 | GRIN2D (0.39) | MAPTNPC1HSD17B10HTR2BRAPGEF4 | |
| SCHEMBL26201039 | 0.84 | PIM1 (0.47) | ALDH1A1CYP3A4PIM1LMNAMAPT | |
| SCHEMBL476694 | 0.80 | CYP3A4 (0.58) | ALDH1A1CYP19A1CYP3A4MAPTALOX15 | |
| SCHEMBL9744550 | 0.76 | ALDH1A1 (0.50) | ALDH1A1CYP3A4PIM1LMNAMAPT | |
| SCHEMBL26201031 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP19A1CYP3A4LMNAMAPT | |
| SCHEMBL317299 | 0.74 | RAPGEF4 (0.50) | ALDH1A1LMNAMAPTTP53CYP1A2 | |
| SCHEMBL26201033 | 0.72 | ACHE (0.45) | ALDH1A1ACHE | |
| SCHEMBL26201170 | 0.72 | ABCB1 (0.31) | TSHRHSD17B10 | |
| SCHEMBL26201216 | 0.72 | GRIN2D (0.31) | TSHRHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230280275-A1 | PHOTOACTIVATABLE VIBRATIONAL PROBES AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2023-09-07 | — | — | US | disclosed |
| US-20230280275-A1 | PHOTOACTIVATABLE VIBRATIONAL PROBES AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2023-09-07 | — | — | US | disclosed |
| WO-2023060133-A1 | PHOTOACTIVATABLE VIBRATIONAL PROBES AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2023-04-13 | — | — | WO | disclosed |