Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KDM1A | O60341 | 2/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 2/20 | 0.52 |
| ▸ | EED | O75530 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.50 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1040185 | 0.90 | ALDH1A1 (0.88) | ALDH1A1TSHRKDM1AMAOAMAOB | |
| SCHEMBL5678905 | 0.85 | ALDH1A1 (0.97) | ALDH1A1TSHRKDM1AMAOAMAOB | |
| SCHEMBL7161324 | 0.84 | ALDH1A1 (0.55) | ALDH1A1KDM1AMAOAMAOBHTT | |
| SCHEMBL17484522 | 0.84 | GRIN2B (0.57) | ALDH1A1HTR2CEEDCHRM2 | |
| SCHEMBL375093 | 0.83 | ALDH1A1 (0.76) | ALDH1A1TSHRKDM1AMAOAMAOB | |
| SCHEMBL1006996 | 0.82 | CARM1 (0.61) | ALDH1A1HTR2CPRMT5WDR77SLC6A4 | |
| SCHEMBL28069803 | 0.82 | ALDH1A1 (0.59) | ALDH1A1TSHRKDM1AMAOAMAOB | |
| SCHEMBL7064981 | 0.79 | ALDH1A1 (0.52) | ALDH1A1KDM1AMAOAMAOBEED | |
| SCHEMBL13746152 | 0.79 | ALDH1A1 (0.74) | ALDH1A1TSHRLMNAPKMHTT | |
| SCHEMBL5365488 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TSHRKDM1AMAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018231635-A1 | NOVEL DELTA-OPIOID RECEPTOR AGONISTS | PURDUE RESEARCH FOUNDATION (US) | 2018-12-20 | — | — | WO | disclosed |
| US-5767116-A | TREATING PSYCHOSES | KNOLL ATKIENGESELLSCHAFT (DE) | 1998-06-16 | — | — | US | disclosed |