Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10636985 | 0.99 | HDAC1 (0.47) | HDAC1HDAC6NOTUMITGB3ITGA2B | |
| SCHEMBL8815909 | 0.85 | HDAC1 (0.56) | HDAC1HDAC6NOTUMSIGMAR1ADRB2 | |
| SCHEMBL10636799 | 0.83 | SCN5A (0.50) | HDAC1HDAC6NOTUMMAOBSIGMAR1 | |
| SCHEMBL11041268 | 0.81 | HSD17B3 (0.47) | HDAC1HDAC6NOTUMPRMT6SIGMAR1 | |
| SCHEMBL11041562 | 0.80 | SRD5A1 (0.45) | NOTUMMAOBADRB2ADRB1ADRB3 | |
| SCHEMBL11013870 | 0.80 | ALDH1A1 (0.53) | HDAC1HDAC6PRMT6ALDH1A1GAA | |
| SCHEMBL5661589 | 0.79 | SIGMAR1 (0.57) | SIGMAR1PTGER4PTGER2ALDH1A1GAA | |
| SCHEMBL12628333 | 0.79 | HDAC1 (0.58) | HDAC1HDAC6NOTUMADRB2ADRB1 | |
| SCHEMBL29572755 | 0.79 | SIGMAR1 (0.57) | SIGMAR1PTGER4PTGER2ALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL10642538 | 0.79 | EGFR (0.46) | NOTUMMAOBADRB2ADRB1ADRB3 |
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-4448784-A | 1-(Aminoalkylphenyl and aminoalkylbenzyl)-indoles and indolines and analgesic method of use thereof | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1984-05-15 | — | — | US | claimed |