Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | CPA1 | P15085 | 1/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MMP8 | P22894 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL16743957 | 0.85 | HTR2A (0.59) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL26178695 | 0.85 | HTR2A (0.59) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL13126117 | 0.85 | HTR2A (0.59) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL14032460 | 0.85 | HTR2A (0.59) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL14945003 | 0.85 | HTR2A (0.59) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL17679171 | 0.85 | HTR2A (0.59) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL12191624 | 0.85 | HTR2A (0.59) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL8333794 | 0.84 | CYP1A2 (0.50) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL13209550 | 0.83 | HTR2A (0.62) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 | |
| SCHEMBL20067117 | 0.83 | HTR2A (0.57) | HTR2AHTR2CHTR2BCYP1A2CYP2A6 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0890101-A4 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INST (US) | 1999-12-08 | — | — | EP | claimed |
| EP-0890101-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1999-01-13 | — | — | EP | claimed |
| WO-1997033174-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-09-12 | — | — | WO | claimed |
| US-6121489-A | Selectively N-alkylated peptidomimetic combinatorial libraries and compounds therein | TREGA BIOSCIENCES, INC. (US) | 2000-09-19 | — | — | US | disclosed |
| EP-0890101-A4 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INST (US) | 1999-12-08 | — | — | EP | disclosed |
| EP-0890101-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997033174-A1 | SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN | TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) | 1997-09-12 | — | — | WO | disclosed |