Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | ACACA | Q13085 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5878933 | 0.88 | TSHR (0.35) | TSHRCHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL28552427 | 0.86 | ACACB (0.41) | TSHRCHRM1ADRA1AACACBACACA | |
| SCHEMBL22181671 | 0.84 | ACE2 (0.55) | ACACBACACACA2ACE2MAPT | |
| SCHEMBL28800081 | 0.83 | ACACB (0.38) | TSHRACACBACACAACLY | |
| SCHEMBL4611420 | 0.82 | ACACB (0.36) | TSHRACACBACACACA2MAPK1 | |
| SCHEMBL23784684 | 0.81 | GABRP (0.45) | TSHRSLC6A3ACACBACACANFKB1 | |
| SCHEMBL13571423 | 0.79 | ACACB (0.40) | ACACBACACAACE2CYP3A4MAPT | |
| SCHEMBL27601803 | 0.79 | GGT1 (0.38) | TSHRCHRM1AKR1A1CHRM3HTR2A | |
| SCHEMBL133371 | 0.79 | ACACB (0.37) | ACACBACACAACE2MAPTACLY | |
| SCHEMBL8097597 | 0.77 | ACLY (0.41) | TDP1ACACBACACACYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5117022-A | Antitumor | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1992-05-26 | — | — | US | disclosed |
| WO-1990002131-A1 | HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1990-03-08 | — | — | WO | disclosed |