Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 8/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 7/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 6/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 7/20 | 0.42 |
| ▸ | TUBB | P07437 | 7/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 7/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 7/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 7/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 7/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 7/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 7/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 7/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 7/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 7/20 | 0.42 |
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 SCHEMBL10642538 | 0.99 | EGFR (0.46) | SRD5A1EGFRNOTUMMAOBKDR | |
| SCHEMBL11043671 | 0.84 | SRD5A1 (0.54) | SRD5A1MAOBADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL10640696 | 0.83 | SRD5A1 (0.53) | SRD5A1MAOB | |
| SCHEMBL10639749 | 0.81 | HSD17B3 (0.47) | SRD5A1NOTUMADRB2ADRB1ADRB3 | |
| SCHEMBL11045005 | 0.80 | HDAC1 (0.48) | NOTUMMAOBADRB2ADRB1ADRB3 | |
| SCHEMBL10641868 | 0.80 | MAPK1 (0.42) | SRD5A1ADRB2ADRB1ADRB3HSD17B10 | |
| Hydrochloric Acid SCHEMBL10639253 | 0.80 | HSD17B3 (0.46) | SRD5A1NOTUMMAOBADRB2ADRB1 | |
| Hydrochloric Acid SCHEMBL10636985 | 0.79 | HDAC1 (0.47) | NOTUMMAOBADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL10643081 | 0.79 | MAPK1 (0.41) | SRD5A1ADRB2ADRB1ADRB3HSD17B10 | |
| SCHEMBL10637512 | 0.79 | SRD5A1 (0.46) | SRD5A1EGFRNOTUMKDRPDGFRB |
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 |