Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | GPR3 | P46089 | 2/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18729739 | 0.80 | CYP1A2 (0.44) | CYP1A2TSHRGPR3HTR2AHDAC3 | |
| SCHEMBL2310546 | 0.80 | CYP1A2 (0.44) | CYP1A2TSHRGPR3HTR2AHDAC3 | |
| SCHEMBL12259452 | 0.77 | CYP1A2 (0.46) | CYP1A2TSHRPOLBKMT2AMEN1 | |
| SCHEMBL36392634 | 0.74 | SLC6A3 (0.39) | CYP1A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL22769540 | 0.74 | SLC6A3 (0.39) | CYP1A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL24768202 | 0.74 | SLC6A3 (0.39) | CYP1A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL18464579 | 0.74 | SLC6A3 (0.39) | CYP1A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL36997213 | 0.74 | SLC6A3 (0.39) | CYP1A2SLC6A4SLC6A3CYP2D6 | |
| SCHEMBL5032105 | 0.74 | CYP1A2 (0.47) | CYP1A2TSHRGPR3HTR2AHDAC3 | |
| SCHEMBL6675583 | 0.74 | GPR3 (0.46) | CYP1A2TSHRGPR3HTR2AHDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991008190-A1 | AMINO ACID PROTECTING GROUPS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1991-06-13 | — | — | WO | claimed |
| US-5101059-A | Xanthene compounds | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1992-03-31 | — | — | US | disclosed |
| WO-1991008190-A1 | AMINO ACID PROTECTING GROUPS | RESEARCH CORPORATION TECHNOLOGIES, INC. (US) | 1991-06-13 | — | — | WO | disclosed |