Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | F3 | P13726 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10734159 | 1.00 | HPGD (0.44) | HPGDMAPTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL8541864 | 1.00 | HPGD (0.44) | HPGDMAPTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL10672586 | 0.86 | CA1 (0.40) | HPGDMAPTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL10736750 | 0.81 | MAPT (0.46) | HPGDMAPTCYP1A2LMNAALDH1A1 | |
| SCHEMBL10736754 | 0.81 | MAPT (0.46) | HPGDMAPTCYP1A2LMNAALDH1A1 | |
| SCHEMBL10740869 | 0.81 | AKR1C3 (0.37) | MAPTCYP1A2KDM1AAKR1C3 | |
| SCHEMBL10740873 | 0.81 | AKR1C3 (0.37) | MAPTCYP1A2KDM1AAKR1C3 | |
| SCHEMBL15987564 | 0.79 | HPGD (0.42) | HPGDMAPTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL15987566 | 0.79 | HPGD (0.42) | HPGDMAPTCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL10743401 | 0.79 | HPGD (0.41) | HPGDKDM1AAKR1C3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4652559-A | ANALGESIC, ANTIDEPRESSANT | THE UPJOHN COMPANY (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0085811-B1 | 2-(PHENYLMETHYLENE)CYCLOALKYLAMINES | THE UPJOHN COMPANY (US) | 1986-05-07 | — | — | EP | disclosed |
| US-4540690-A | ANALGESICS, ANTIDEPRESSANTS | THE UPJOHN COMPANY (US) | 1985-09-10 | — | — | US | disclosed |
| EP-0085811-A1 | 2-(Phenylmethylene)cycloalkylamines | THE UPJOHN COMPANY (US) | 1983-08-17 | — | — | EP | disclosed |