Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9492485 | 0.93 | KDM4E (0.38) | ALDH1A1TSHRMEN1KMT2AHPGD | |
| Oxalic Acid SCHEMBL9495879 | 0.80 | KMT2A (0.49) | ALDH1A1MEN1KMT2ACHRM2CHRM5 | |
| SCHEMBL9492093 | 0.78 | CHRM2 (0.39) | MEN1KMT2ANPC1RAB9ACHRM2 | |
| SCHEMBL9494634 | 0.78 | SLC6A2 (0.43) | ALDH1A1TSHRMEN1KMT2ACHRM2 | |
| SCHEMBL9492980 | 0.75 | KMT2A (0.55) | KMT2ACHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL9495675 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9493425 | 0.74 | CHRM3 (0.45) | KMT2ACHRM2CHRM5CHRM3 | |
| Oxalic Acid SCHEMBL9492479 | 0.72 | KMT2A (0.49) | ALDH1A1KMT2ANPC1RAB9ACHRM2 | |
| SCHEMBL14808682 | 0.72 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2APOLBHPGD | |
| SCHEMBL9492217 | 0.70 | SLC6A2 (0.37) | KMT2APOLBCHRM2CHRM5CHRM1 |
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-5177084-A | 1-Azabicycles, Treating Mental Disorders | MERCK SHARP & DOHME LTD. (GB) | 1993-01-05 | — | — | US | disclosed |
| EP-0412797-A2 | The therapeutic use of substituted benzenes, formulations thereof and novel substituted benzenes | MERCK SHARP & DOHME LTD. (GB) | 1991-02-13 | — | — | EP | disclosed |