Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.45 |
| ▸ | TUBB | P07437 | 2/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.45 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.45 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.45 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.45 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.45 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.45 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.45 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.45 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18625049 | 1.00 | HTR1A (0.56) | HTR1ACYP3A4DRD1DRD2TUBB4A | |
| SCHEMBL14886117 | 0.83 | HTR1A (0.52) | HTR1ACYP3A4DRD1DRD2TUBB4A | |
| SCHEMBL2332977 | 0.82 | HTR1A (0.81) | HTR1ACYP3A4DRD1DRD2MEN1 | |
| SCHEMBL14886118 | 0.82 | HTR1A (0.81) | HTR1ACYP3A4DRD1DRD2MEN1 | |
| SCHEMBL16511613 | 0.75 | HTR1A (0.56) | HTR1ACYP3A4DRD1DRD2TUBB4A | |
| SCHEMBL5458653 | 0.74 | LMNA (0.64) | CYP3A4KMT2A | |
| SCHEMBL14235260 | 0.74 | DRD1 (0.57) | HTR1ACYP3A4DRD1DRD2MEN1 | |
| SCHEMBL15611358 | 0.74 | DRD1 (0.57) | HTR1ACYP3A4DRD1DRD2MEN1 | |
| SCHEMBL10537093 | 0.73 | DRD1 (0.71) | HTR1ACYP3A4DRD1DRD2MEN1 | |
| Caryachine SCHEMBL6376741 | 0.72 | HTR1A (1.00) | HTR1ACYP3A4DRD1DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-9657030-B2 | Transition metal-catalyzed processes for the preparation of N-allyl compounds and use thereof | RHODES TECHNOLOGIES (US) | 2017-05-23 | — | — | US | disclosed |