Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29181581 | 0.95 | SIGMAR1 (0.49) | SMN1; SMN2TSHRSIGMAR1KDM4EALDH1A1 | |
| Myralact SCHEMBL28295985 | 0.95 | SIGMAR1 (0.49) | SMN1; SMN2TSHRSIGMAR1KDM4EALDH1A1 | |
| Diethanolamine SCHEMBL5874579 | 0.88 | SMN1; SMN2 (0.64) | SMN1; SMN2TSHRKDM4EALDH1A1CA12 | |
| SCHEMBL27879414 | 0.86 | SMN1; SMN2 (0.48) | SMN1; SMN2TSHRSIGMAR1KDM4EALDH1A1 | |
| SCHEMBL6904987 | 0.83 | SMN1; SMN2 (0.61) | SMN1; SMN2TSHRSIGMAR1KDM4EALDH1A1 | |
| Butyl Alcohol SCHEMBL28041245 | 0.83 | TSHR (0.61) | SMN1; SMN2TSHRKDM4EALDH1A1TDP1 | |
| Diethanolamine SCHEMBL11580402 | 0.83 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRKDM4EALDH1A1HSD17B10 | |
| Butyl Alcohol SCHEMBL28275889 | 0.82 | TSHR (0.59) | SMN1; SMN2TSHRKDM4EALDH1A1TDP1 | |
| Hexane SCHEMBL27501792 | 0.81 | TSHR (0.70) | SMN1; SMN2TSHRALDH1A1TDP1CA12 | |
| Propanol SCHEMBL28732212 | 0.81 | TSHR (0.70) | SMN1; SMN2TSHRKDM4EALDH1A1HSD17B10 |
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-6013423-A | SILVER HALIDE PHOTOGRAPHIC MATERIAL, DEVELOPMENT AND SIX MEMBERED RING AND MERCAPTO, HYDROXYL OR OTHER GROUP ON HETERO CYCLIC COPOUNDS | FUJI PHOTO FILM CO., LTD. (JP) | 2000-01-11 | — | — | US | disclosed |