Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | ST14 | Q9Y5Y6 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21268144 | 0.84 | CYP1A2 (0.41) | TDP1KDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4171673 | 0.81 | HPGD (0.37) | TDP1KDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8347049 | 0.81 | TSHR (0.33) | TDP1KDM4EALDH1A1CYP2C19CYP2D6 | |
| SCHEMBL16240200 | 0.81 | KDM4E (0.44) | KDM4EF2PLAUST14HTR7 | |
| SCHEMBL706888 | 0.81 | IDO1 (0.36) | ALDH1A1F2PLAUST14HTR7 | |
| SCHEMBL2956325 | 0.80 | L3MBTL1 (0.38) | TDP1KDM4EALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8348135 | 0.79 | L3MBTL1 (0.38) | TDP1ALDH1A1PLAUCYP1A2CYP2C19 | |
| SCHEMBL16240198 | 0.77 | HTR7 (0.60) | KDM4EALDH1A1CYP1A2CYP2C19CYP2D6 | |
| SCHEMBL5685216 | 0.77 | — | — | |
| SCHEMBL702267 | 0.77 | HPGD (0.39) | TDP1KDM4EALDH1A1MAPTHPGD |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5919798-A | USEFUL AS ANTIPSYCHOTIC AND ANALGESIC AGENTS. | HOECHST MARION ROUSSEL, INC. (US) | 1999-07-06 | — | — | US | disclosed |
| US-5889035-A | 1-(Arylthioalkyl, arylaminoalkyl or arylmethylenealkyl)-3-(heteroaryl) pyrrolidines and related compounds useful as antipsychotics and analgesics | HOECHST MARION ROUSSEL, INC. (US) | 1999-03-30 | — | — | US | disclosed |
| US-5889004-A | PSYCHOLOGICAL DISORDERS, ANALGESICS | HOECHST MARION ROUSSEL, INC. (US) | 1999-03-30 | — | — | US | disclosed |
| US-5874435-A | PSYCHOLOGICAL DISORDERS; ANALGESICS | HOECHST MARION ROUSSEL, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| US-5854243-A | 3-heteroaryl-1-pyrrolidinealkylthiols and derivatives thereof and their therapeutic utility | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1998-12-29 | — | — | US | disclosed |
| US-5854263-A | 1- (1,4-benzodioxanyl)alkyl!-3-(heteroaryl) pyrrolidines and related compounds and their therapeutic utility | HOECHST MARION ROUSSEL, INC. (US) | 1998-12-29 | — | — | US | disclosed |
| US-5843977-A | (3-heteroaryl-1-pyrrolidinyl) alkoxy!-3,4-dihydro-1(2H)-naphthalenones and related compounds and their therapeutic utility | HOECHST MARION ROSUEEL, INC. | 1998-12-01 | — | — | US | disclosed |
| US-5843949-A | 1-(1H-indolyloxyalkyl)-4-(heteroaryl)piperazines and related compounds useful as antipsychotics and analgesics | HOECHST MARION ROUSSEL, INC. | 1998-12-01 | — | — | US | disclosed |
| US-5840727-A | ANTIPSYCHOTICS, ANALGESICS | AVENTIS PHARMACEUTICALS INC. | 1998-11-24 | — | — | US | disclosed |
| US-5811430-A | 1 (2-pyrimidinyloxy) alkyl!-4- (heteroaryl) Piperidines and related compounds and their therapeutic utility | HOECHST MARION ROUSSEL, INC. | 1998-09-22 | — | — | US | disclosed |
| US-5811435-A | 2- (4-heteroaryl-1-piperidinyl)alkyl!-1,3-dioxanes and related compounds and their therapeutic utility | HOECHST MARION RUSSEL, INC. | 1998-09-22 | — | — | US | disclosed |
| US-5776963-A | ANTIPSYCHOTIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-07-07 | — | — | US | disclosed |
| CN-1048037-A | N- (aryloxyalkyl) heteroarylpiperidines and heteroarylpiperazines, their preparation and their use as pharmaceuticals | HOECHST ROUSSEL PHARMA (US) | 1990-12-26 | — | — | CN | disclosed |