Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL31142938 | 1.00 | TAAR1 (0.57) | TAAR1KDM4EALDH1A1TSHRCYP1A2 | |
| Hydrochloric Acid SCHEMBL29268332 | 0.99 | TAAR1 (0.56) | TAAR1KDM4EALDH1A1TSHRCYP1A2 | |
| SCHEMBL19051440 | 0.83 | RXFP1 (0.65) | KDM4EALDH1A1TSHRTP53MAPK1 | |
| SCHEMBL29654298 | 0.82 | PDE10A (0.46) | TAAR1KDM4EALDH1A1TSHRTP53 | |
| Hydrochloric Acid SCHEMBL29013581 | 0.80 | KMT2A (0.50) | TAAR1KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL6770354 | 0.79 | ADRB1 (0.56) | KDM4EALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL24969918 | 0.78 | HTR3A (0.54) | KDM4EALDH1A1CYP1A2CYP3A4MAPK1 | |
| SCHEMBL24971049 | 0.78 | HTR6 (0.54) | KDM4EALDH1A1CYP1A2CYP3A4MAPK1 | |
| SCHEMBL7377147 | 0.78 | CYP1A2 (0.59) | TAAR1KDM4EALDH1A1TSHRCYP1A2 | |
| SCHEMBL6225002 | 0.78 | HTR6 (0.54) | KDM4EALDH1A1CYP1A2CYP3A4MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023002011-A1 | GRAM-NEGATIVE BACTERIA EFFLUX PUMP INHIBITORS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 2023-01-26 | — | — | WO | disclosed |