Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 1/20 | 0.55 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11621569 | 0.85 | MEN1 (0.62) | COMTGAAMAPTALDH1A1NOTUM | |
| SCHEMBL11626746 | 0.82 | COMT (0.65) | COMTGAAALDH1A1NOTUMSMN1; SMN2 | |
| SCHEMBL2883370 | 0.81 | NOTUM (0.66) | COMTPDE4DTSHRGAAMAPT | |
| SCHEMBL11627376 | 0.80 | GABRA2 (0.50) | TSHRMAPTALDH1A1NOTUMGABRA2 | |
| SCHEMBL16386606 | 0.80 | KDM4E (0.51) | PDE4DTSHRGAAMAPTALDH1A1 | |
| SCHEMBL11133646 | 0.78 | PDE4D (0.55) | PDE4DTSHRGAAMAPTALDH1A1 | |
| SCHEMBL19349191 | 0.78 | PDE4D (0.51) | PDE4DTSHRGAAMAPTALDH1A1 | |
| SCHEMBL17907416 | 0.77 | TSHR (0.48) | PDE4DTSHRGAAMAPTALDH1A1 | |
| SCHEMBL10463882 | 0.75 | TSHR (0.58) | PDE4DTSHRGAAMAPTALDH1A1 | |
| SCHEMBL11625368 | 0.75 | NOTUM (0.54) | COMTMAPTALDH1A1NOTUMSMN1; SMN2 |
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-4115101-A | PLANT GROWTH REGULATORS, CHEMICAL HYBRIDIZATION AGENTS | ROHM AND HAAS COMPANY (US) | 1978-09-19 | — | — | US | disclosed |
| US-4051142-A | PLANT GROWTH REGULATORS | ROHM AND HAAS COMPANY (US) | 1977-09-27 | — | — | US | disclosed |